N-(4-azanylcyclohexyl)-3-benzamido-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]benzamide Formula: C30H35N5O3S MolecularWeight: 545.6956

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C30H35N5O3S/c31-23-10-12-24(13-11-23)32-29(37)22-9-14-26(25(20-22)33-28(36)21-6-2-1-3-7-21)34-15-5-16-35(18-17-34)30(38)27-8-4-19-39-27/h1-4,6-9,14,19-20,23-24H,5,10-13,15-18,31H2,(H,32,37)(H,33,36)