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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]benzamide Formula: C32H39N5O4S MolecularWeight: 589.74816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H39N5O4S/c1-41-26-12-5-22(6-13-26)20-30(38)35-27-21-23(31(39)34-25-10-8-24(33)9-11-25)7-14-28(27)36-15-3-16-37(18-17-36)32(40)29-4-2-19-42-29/h2,4-7,12-14,19,21,24-25H,3,8-11,15-18,20,33H2,1H3,(H,34,39)(H,35,38)