prop-2-enyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]-N'-methyl-carbamimidothioate

Systemtic Name: prop-2-enyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]-N'-methyl-carbamimidothioate Openeye Name: 2-allyl-1-[(E)-(3,4-dichlorophenyl)methyleneamino]-3-methyl-isothiourea CAS Name: N-[(E)-(3,4-dichlorophenyl)methylideneamino]-N'-methylcarbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]-N'-methylcarbamimidothioate Traditional Name: 2-allyl-1-[(E)-(3,4-dichlorobenzylidene)amino]-3-methyl-isothiourea Formula: C12H13Cl2N3S MolecularWeight: 302.22272

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NN=CC1=CC(=C(C=C1)Cl)Cl)SCC=C

Isomeric SMILES

CN=C(N/N=C/C1=CC(=C(C=C1)Cl)Cl)SCC=C

InChI

InChI=1S/C12H13Cl2N3S/c1-3-6-18-12(15-2)17-16-8-9-4-5-10(13)11(14)7-9/h3-5,7-8H,1,6H2,2H3,(H,15,17)/b16-8+