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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-methylphenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-methylphenyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-methylbenzoyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-(m-toluoylamino)-4-[4-(2-thenoyl)piperazino]benzamide Formula: C30H35N5O3S MolecularWeight: 545.6956

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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)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H35N5O3S/c1-20-4-2-5-21(18-20)29(37)33-25-19-22(28(36)32-24-10-8-23(31)9-11-24)7-12-26(25)34-13-15-35(16-14-34)30(38)27-6-3-17-39-27/h2-7,12,17-19,23-24H,8-11,13-16,31H2,1H3,(H,32,36)(H,33,37)