N-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-2-carboxamide CAS Name: N-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[(1-methyl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-2-carboxamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

CN1C(CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O3S/c1-25-17(14-24-22(27)20-8-5-11-30-20)13-23-21(15-6-3-2-4-7-15)18-12-16(26(28)29)9-10-19(18)25/h2-12,17H,13-14H2,1H3,(H,24,27)