ethyl 3-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(3,5-dimethylbenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C30H34N4O3S MolecularWeight: 530.68096

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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(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O3S/c1-4-37-29(36)24-10-11-27(34-14-12-33(13-15-34)20-23-8-6-5-7-9-23)26(19-24)31-30(38)32-28(35)25-17-21(2)16-22(3)18-25/h5-11,16-19H,4,12-15,20H2,1-3H3,(H2,31,32,35,38)