ethyl 2-(diethylamino)-4-[(4-methylsulfanylphenyl)carbamoylamino]benzoate

Systemtic Name: ethyl 2-(diethylamino)-4-[(4-methylsulfanylphenyl)carbamoylamino]benzoate Openeye Name: ethyl 2-(diethylamino)-4-[(4-methylsulfanylphenyl)carbamoylamino]benzoate CAS Name: 2-(diethylamino)-4-[[[4-(methylthio)anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-(diethylamino)-4-[(4-methylsulfanylphenyl)carbamoylamino]benzoate Traditional Name: 2-(diethylamino)-4-[[4-(methylthio)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)C(=O)OCC

InChI

InChI=1S/C21H27N3O3S/c1-5-24(6-2)19-14-16(10-13-18(19)20(25)27-7-3)23-21(26)22-15-8-11-17(28-4)12-9-15/h8-14H,5-7H2,1-4H3,(H2,22,23,26)