ethyl 3-[3-[methyl(phenyl)amino]propylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[3-[methyl(phenyl)amino]propylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[3-(N-methylanilino)propylcarbamothioylamino]benzoate CAS Name: 3-[[[3-(N-methylanilino)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(N-methylanilino)propylcarbamothioylamino]benzoate Traditional Name: 3-[3-(N-methylanilino)propylthiocarbamoylamino]benzoic acid ethyl ester Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCN(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCCN(C)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-3-25-19(24)16-9-7-10-17(15-16)22-20(26)21-13-8-14-23(2)18-11-5-4-6-12-18/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H2,21,22,26)