methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-24(5-2)19(26)15-10-12-17(13-11-15)22-21(29)23-18(25)14-6-8-16(9-7-14)20(27)28-3/h6-13H,4-5H2,1-3H3,(H2,22,23,25,29)