(6S)-6-methyl-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-methyl-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-methyl-2-[(3-nitro-4-pyrrolidino-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-12-4-6-14-17(10-12)30-21(18(14)19(22)26)23-20(27)13-5-7-15(16(11-13)25(28)29)24-8-2-3-9-24/h5,7,11-12H,2-4,6,8-10H2,1H3,(H2,22,26)(H,23,27)/t12-/m0/s1