N-[4-[3-[(3,4-diethylphenyl)methyl]-1-methyl-8-nitro-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]phenyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[4-[3-[(3,4-diethylphenyl)methyl]-1-methyl-8-nitro-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]phenyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[4-[3-[(3,4-diethylphenyl)methyl]-1-methyl-8-nitro-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl]-2-(2-thienyl)acetamide CAS Name: N-[4-[3-[(3,4-diethylphenyl)methyl]-1-methyl-8-nitro-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[4-[3-[(3,4-diethylphenyl)methyl]-1-methyl-8-nitro-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl]-2-thiophen-2-ylacetamide Traditional Name: N-[4-[3-(3,4-diethylbenzyl)-2-keto-1-methyl-8-nitro-3H-1,4-benzodiazepin-5-yl]phenyl]-2-(2-thienyl)acetamide Formula: C33H32N4O4S MolecularWeight: 580.69658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)CC2C(=O)N(C3=C(C=CC(=C3)[N+](=O)[O-])C(=N2)C4=CC=C(C=C4)NC(=O)CC5=CC=CS5)C)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)CC2C(=O)N(C3=C(C=CC(=C3)[N+](=O)[O-])C(=N2)C4=CC=C(C=C4)NC(=O)CC5=CC=CS5)C)CC

InChI

InChI=1S/C33H32N4O4S/c1-4-22-9-8-21(17-23(22)5-2)18-29-33(39)36(3)30-19-26(37(40)41)14-15-28(30)32(35-29)24-10-12-25(13-11-24)34-31(38)20-27-7-6-16-42-27/h6-17,19,29H,4-5,18,20H2,1-3H3,(H,34,38)