propan-2-yl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(dimethylamino)propylthiocarbamoylamino]benzoic acid isopropyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-12(2)21-15(20)13-6-8-14(9-7-13)18-16(22)17-10-5-11-19(3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,22)