ethyl 3-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(4-methylphenoxy)acetyl]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)COC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=S)NC(=O)COC4=CC=C(C=C4)C

InChI

InChI=1S/C30H34N4O4S/c1-3-37-29(36)24-11-14-27(34-17-15-33(16-18-34)20-23-7-5-4-6-8-23)26(19-24)31-30(39)32-28(35)21-38-25-12-9-22(2)10-13-25/h4-14,19H,3,15-18,20-21H2,1-2H3,(H2,31,32,35,39)