ethyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C30H34N4O4S MolecularWeight: 546.68036

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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=C(C(=CC=C4)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O4S/c1-4-38-29(36)23-13-14-26(34-17-15-33(16-18-34)20-22-10-6-5-7-11-22)25(19-23)31-30(39)32-28(35)24-12-8-9-21(2)27(24)37-3/h5-14,19H,4,15-18,20H2,1-3H3,(H2,31,32,35,39)