methyl 3-[[4-(diethylamino)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(diethylamino)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(diethylamino)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(diethylamino)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(diethylamino)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-4-23(5-2)17-11-9-16(10-12-17)21-20(27)22-18(24)14-7-6-8-15(13-14)19(25)26-3/h6-13H,4-5H2,1-3H3,(H2,21,22,24,27)