butyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate Openeye Name: butyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(dimethylamino)propylthiocarbamoylamino]benzoic acid butyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN(C)C

InChI

InChI=1S/C17H27N3O2S/c1-4-5-13-22-16(21)14-7-9-15(10-8-14)19-17(23)18-11-6-12-20(2)3/h7-10H,4-6,11-13H2,1-3H3,(H2,18,19,23)