ethyl 3-[(2-methylphenyl)carbonylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(2-methylphenyl)carbonylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(o-toluoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C29H32N4O3S/c1-3-36-28(35)23-13-14-26(33-17-15-32(16-18-33)20-22-10-5-4-6-11-22)25(19-23)30-29(37)31-27(34)24-12-8-7-9-21(24)2/h4-14,19H,3,15-18,20H2,1-2H3,(H2,30,31,34,37)