methyl N-[(E)-1-(4-chlorophenyl)butylideneamino]-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-[(E)-1-(4-chlorophenyl)butylideneamino]-N'-methyl-carbamimidothioate Openeye Name: 1-[(E)-1-(4-chlorophenyl)butylideneamino]-2,3-dimethyl-isothiourea CAS Name: N-[(E)-1-(4-chlorophenyl)butylideneamino]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(E)-1-(4-chlorophenyl)butylideneamino]-N'-methylcarbamimidothioate Traditional Name: 1-[(E)-1-(4-chlorophenyl)butylideneamino]-2,3-dimethyl-isothiourea Formula: C13H18ClN3S MolecularWeight: 283.82012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=NC)SC)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC/C(=N\NC(=NC)SC)/C1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H18ClN3S/c1-4-5-12(16-17-13(15-2)18-3)10-6-8-11(14)9-7-10/h6-9H,4-5H2,1-3H3,(H,15,17)/b16-12+