N-(4-azanylcyclohexyl)-3-[(4-nitrophenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-nitrophenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-nitrobenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-nitrobenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-nitrobenzoyl)amino]-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]benzamide Formula: C30H34N6O5S MolecularWeight: 590.69316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H34N6O5S/c31-22-7-9-23(10-8-22)32-29(38)21-6-13-26(25(19-21)33-28(37)20-4-11-24(12-5-20)36(40)41)34-14-2-15-35(17-16-34)30(39)27-3-1-18-42-27/h1,3-6,11-13,18-19,22-23H,2,7-10,14-17,31H2,(H,32,38)(H,33,37)