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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(2-thenoyl)piperazino]benzamide Formula: C33H41N5O3S MolecularWeight: 587.77534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H41N5O3S/c1-33(2,3)24-9-6-22(7-10-24)30(39)36-27-21-23(31(40)35-26-13-11-25(34)12-14-26)8-15-28(27)37-16-18-38(19-17-37)32(41)29-5-4-20-42-29/h4-10,15,20-21,25-26H,11-14,16-19,34H2,1-3H3,(H,35,40)(H,36,39)