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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methylphenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methylphenyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-(m-toluoylamino)-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:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H37N5O3S/c1-21-5-2-6-22(19-21)30(38)34-26-20-23(29(37)33-25-11-9-24(32)10-12-25)8-13-27(26)35-14-4-15-36(17-16-35)31(39)28-7-3-18-40-28/h2-3,5-8,13,18-20,24-25H,4,9-12,14-17,32H2,1H3,(H,33,37)(H,34,38)