ethyl 4-[4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]butanoate

Systemtic Name: ethyl 4-[4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]butanoate Openeye Name: ethyl 4-[4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]butanoate CAS Name: 4-[4-[(1E)-1-[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]butanoate Traditional Name: 4-[4-[(E)-C-methyl-N-(methylthiocarbamoylamino)carbonimidoyl]phenyl]butyric acid ethyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC=C(C=C1)C(=NNC(=S)NC)C

Isomeric SMILES

CCOC(=O)CCCC1=CC=C(C=C1)/C(=N/NC(=S)NC)/C

InChI

InChI=1S/C16H23N3O2S/c1-4-21-15(20)7-5-6-13-8-10-14(11-9-13)12(2)18-19-16(22)17-3/h8-11H,4-7H2,1-3H3,(H2,17,19,22)/b18-12+