butyl N'-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamimidothioate

Systemtic Name: butyl N'-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamimidothioate Openeye Name: 2-butyl-3-[(E)-(3,4-dichlorophenyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-butyl-3-[(E)-(3,4-dichlorobenzylidene)amino]isothiourea Formula: C12H15Cl2N3S MolecularWeight: 304.2386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NN=CC1=CC(=C(C=C1)Cl)Cl)N

Isomeric SMILES

CCCCS/C(=N/N=C/C1=CC(=C(C=C1)Cl)Cl)/N

InChI

InChI=1S/C12H15Cl2N3S/c1-2-3-6-18-12(15)17-16-8-9-4-5-10(13)11(14)7-9/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17)/b16-8+