N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)CC5=CC=CC=C5

InChI

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