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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3,4-dimethoxyphenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3,4-dimethoxybenzoyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(2-thenoyl)piperazino]-3-(veratroylamino)benzamide Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=CS5)OC

InChI

InChI=1S/C31H37N5O5S/c1-40-26-12-6-21(19-27(26)41-2)30(38)34-24-18-20(29(37)33-23-9-7-22(32)8-10-23)5-11-25(24)35-13-15-36(16-14-35)31(39)28-4-3-17-42-28/h3-6,11-12,17-19,22-23H,7-10,13-16,32H2,1-2H3,(H,33,37)(H,34,38)