(6R)-N-[(1S)-2-azanyl-1-[3-[(4-azanyl-1,2-thiazol-3-yl)carbonylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: (6R)-N-[(1S)-2-azanyl-1-[3-[(4-azanyl-1,2-thiazol-3-yl)carbonylamino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: (6R)-N-[(1S)-2-amino-1-[3-[(4-aminoisothiazole-3-carbonyl)amino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: (6R)-N-[(1S)-2-amino-1-[3-[[(4-amino-3-isothiazolyl)-oxomethyl]amino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: (6R)-N-[(1S)-2-amino-1-[3-[(4-amino-1,2-thiazole-3-carbonyl)amino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: (6R)-N-[(1S)-2-amino-1-[3-[(4-aminoisothiazole-3-carbonyl)amino]phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C28H32N6O2S2 MolecularWeight: 548.72268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C3C=C(SC3=N2)C(=O)NC(CN)C4=CC(=CC=C4)NC(=O)C5=NSC=C5N

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)C=C3C=C(SC3=N2)C(=O)N[C@H](CN)C4=CC(=CC=C4)NC(=O)C5=NSC=C5N

InChI

InChI=1S/C28H32N6O2S2/c1-28(2,3)18-7-8-21-16(10-18)9-17-12-23(38-27(17)33-21)25(35)32-22(13-29)15-5-4-6-19(11-15)31-26(36)24-20(30)14-37-34-24/h4-6,9,11-12,14,18,22H,7-8,10,13,29-30H2,1-3H3,(H,31,36)(H,32,35)/t18-,22-/m1/s1