methyl 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-23(2)17(24)12-13-4-10-16(11-5-13)21-20(28)22-18(25)14-6-8-15(9-7-14)19(26)27-3/h4-11H,12H2,1-3H3,(H2,21,22,25,28)