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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[2-(4-methoxyphenyl)ethanoylamino]-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(2-thenoyl)piperazino]benzamide Formula: C31H37N5O4S MolecularWeight: 575.72158

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

InChI

InChI=1S/C31H37N5O4S/c1-40-25-11-4-21(5-12-25)19-29(37)34-26-20-22(30(38)33-24-9-7-23(32)8-10-24)6-13-27(26)35-14-16-36(17-15-35)31(39)28-3-2-18-41-28/h2-6,11-13,18,20,23-24H,7-10,14-17,19,32H2,1H3,(H,33,38)(H,34,37)