methyl 4-[2-[di(propan-2-yl)amino]ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-[di(propan-2-yl)amino]ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(diisopropylamino)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-[di(propan-2-yl)amino]ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[di(propan-2-yl)amino]ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(diisopropylamino)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=S)NC1=CC=C(C=C1)C(=O)OC)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=S)NC1=CC=C(C=C1)C(=O)OC)C(C)C

InChI

InChI=1S/C17H27N3O2S/c1-12(2)20(13(3)4)11-10-18-17(23)19-15-8-6-14(7-9-15)16(21)22-5/h6-9,12-13H,10-11H2,1-5H3,(H2,18,19,23)