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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-cyanophenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-cyanobenzoyl)amino]-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]benzamide Formula: C31H34N6O3S MolecularWeight: 570.70506

Click to see the large picture

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)C#N

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)C#N

InChI

InChI=1S/C31H34N6O3S/c32-20-21-4-6-22(7-5-21)29(38)35-26-19-23(30(39)34-25-11-9-24(33)10-12-25)8-13-27(26)36-14-2-15-37(17-16-36)31(40)28-3-1-18-41-28/h1,3-8,13,18-19,24-25H,2,9-12,14-17,33H2,(H,34,39)(H,35,38)