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

Systemtic Name: ethyl 3-[3-[methyl(phenyl)amino]propylcarbamothioylamino]butanoate Openeye Name: ethyl 3-[3-(N-methylanilino)propylcarbamothioylamino]butanoate CAS Name: 3-[[[3-(N-methylanilino)propylamino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(N-methylanilino)propylcarbamothioylamino]butanoate Traditional Name: 3-[3-(N-methylanilino)propylthiocarbamoylamino]butyric acid ethyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-4-22-16(21)13-14(2)19-17(23)18-11-8-12-20(3)15-9-6-5-7-10-15/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H2,18,19,23)