(4S)-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-N-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

Systemtic Name: (4S)-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-N-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Openeye Name: (4S)-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-2-methyl-5-oxo-N-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide CAS Name: (4S)-4-[4-(1-benzimidazolylmethyl)-5-methyl-2-thiophenyl]-2-methyl-5-oxo-N-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide IUPAC Name: (4S)-4-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-2-methyl-5-oxo-N-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Traditional Name: (4S)-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-keto-2-methyl-N-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Formula: C30H28N4O2S MolecularWeight: 508.63392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(S3)C)CN4C=NC5=CC=CC=C54)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=C([C@H](C2C(=N1)CCCC2=O)C3=CC(=C(S3)C)CN4C=NC5=CC=CC=C54)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C30H28N4O2S/c1-18-27(30(36)33-21-9-4-3-5-10-21)29(28-23(32-18)12-8-14-25(28)35)26-15-20(19(2)37-26)16-34-17-31-22-11-6-7-13-24(22)34/h3-7,9-11,13,15,17,28-29H,8,12,14,16H2,1-2H3,(H,33,36)/t28?,29-/m1/s1