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

Systemtic Name: methyl 3-[3-(dimethylamino)propylcarbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(dimethylamino)propylcarbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(dimethylamino)propylcarbamothioylamino]-4-methylbenzoate Traditional Name: 3-[3-(dimethylamino)propylthiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCCN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCCN(C)C

InChI

InChI=1S/C15H23N3O2S/c1-11-6-7-12(14(19)20-4)10-13(11)17-15(21)16-8-5-9-18(2)3/h6-7,10H,5,8-9H2,1-4H3,(H2,16,17,21)