methyl 3-(2-diethylaminoethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(2-diethylaminoethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(2-diethylaminoethylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(2-diethylaminoethylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-diethylaminoethylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(2-diethylaminoethylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-4-19(5-2)10-9-17-16(23)18-14(20)12-7-6-8-13(11-12)15(21)22-3/h6-8,11H,4-5,9-10H2,1-3H3,(H2,17,18,20,23)