methyl 4-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-24(2)18(25)13-6-14-4-11-17(12-5-14)22-21(29)23-19(26)15-7-9-16(10-8-15)20(27)28-3/h4-5,7-12H,6,13H2,1-3H3,(H2,22,23,26,29)