butyl N'-[(E)-(3-chlorophenyl)methylideneamino]carbamimidothioate

Systemtic Name: butyl N'-[(E)-(3-chlorophenyl)methylideneamino]carbamimidothioate Openeye Name: 2-butyl-3-[(E)-(3-chlorophenyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(3-chlorophenyl)methylideneamino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[(E)-(3-chlorophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-butyl-3-[(E)-(3-chlorobenzylidene)amino]isothiourea Formula: C12H16ClN3S MolecularWeight: 269.79354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3S/c1-2-3-7-17-12(14)16-15-9-10-5-4-6-11(13)8-10/h4-6,8-9H,2-3,7H2,1H3,(H2,14,16)/b15-9+