(6R)-N-[(1S)-2-azanyl-1-[3-(1H-imidazol-5-ylcarbonylamino)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-(1H-imidazol-5-ylcarbonylamino)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-(1H-imidazole-5-carbonylamino)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-[[1H-imidazol-5-yl(oxo)methyl]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-(1H-imidazole-5-carbonylamino)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-(1H-imidazole-5-carbonylamino)phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C28H32N6O2S MolecularWeight: 516.65768

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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=CN=CN5

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=CN=CN5

InChI

InChI=1S/C28H32N6O2S/c1-28(2,3)19-7-8-21-17(10-19)9-18-12-24(37-27(18)34-21)26(36)33-22(13-29)16-5-4-6-20(11-16)32-25(35)23-14-30-15-31-23/h4-6,9,11-12,14-15,19,22H,7-8,10,13,29H2,1-3H3,(H,30,31)(H,32,35)(H,33,36)/t19-,22-/m1/s1