2-diethylaminoethyl 4-[(3-chlorophenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(3-chlorophenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(3-chlorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(3-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chlorophenyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-3-24(4-2)12-13-26-19(25)15-8-10-17(11-9-15)22-20(27)23-18-7-5-6-16(21)14-18/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,27)