methyl 4-[[(3-ethoxy-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(3-ethoxy-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]carbamoyl]benzoate Openeye Name: methyl 4-[[benzyl-(3-ethoxy-3-oxo-propyl)carbamothioyl]carbamoyl]benzoate CAS Name: 4-[[[[(3-ethoxy-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[benzyl-(3-ethoxy-3-oxopropyl)carbamothioyl]carbamoyl]benzoate Traditional Name: 4-[[benzyl-(3-ethoxy-3-keto-propyl)thiocarbamoyl]carbamoyl]benzoic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H24N2O5S/c1-3-29-19(25)13-14-24(15-16-7-5-4-6-8-16)22(30)23-20(26)17-9-11-18(12-10-17)21(27)28-2/h4-12H,3,13-15H2,1-2H3,(H,23,26,30)