2-diethylaminoethyl 4-[(2-methylphenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(2-methylphenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-(o-tolylcarbamothioylamino)benzoate CAS Name: 4-[[(2-methylanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-(o-tolylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C21H27N3O2S/c1-4-24(5-2)14-15-26-20(25)17-10-12-18(13-11-17)22-21(27)23-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H2,22,23,27)