(6R)-N-[(1S)-2-azanyl-1-[3-(2H-1,2,3-triazol-4-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-(2H-1,2,3-triazol-4-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-(2H-triazole-4-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-[[oxo(2H-triazol-4-yl)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-(2H-triazole-4-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-(2H-triazole-4-carbonylamino)phenyl]ethyl]-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C27H31N7O2S MolecularWeight: 517.64574

Click to see the large picture

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=NNN=C5

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=NNN=C5

InChI

InChI=1S/C27H31N7O2S/c1-27(2,3)18-7-8-20-16(10-18)9-17-12-23(37-26(17)32-20)25(36)31-21(13-28)15-5-4-6-19(11-15)30-24(35)22-14-29-34-33-22/h4-6,9,11-12,14,18,21H,7-8,10,13,28H2,1-3H3,(H,30,35)(H,31,36)(H,29,33,34)/t18-,21-/m1/s1