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

Systemtic Name: N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[(1-oxo-2-phenylethyl)amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]benzamide Formula: C31H37N5O3S MolecularWeight: 559.72218

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C31H37N5O3S/c32-24-10-12-25(13-11-24)33-30(38)23-9-14-27(26(21-23)34-29(37)20-22-6-2-1-3-7-22)35-15-5-16-36(18-17-35)31(39)28-8-4-19-40-28/h1-4,6-9,14,19,21,24-25H,5,10-13,15-18,20,32H2,(H,33,38)(H,34,37)