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

Systemtic Name: butyl N'-[(E)-(3-bromophenyl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(3-bromophenyl)methyleneamino]-2-butyl-isothiourea CAS Name: N'-[(E)-(3-bromophenyl)methylideneamino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[(E)-(3-bromophenyl)methylideneamino]carbamimidothioate Traditional Name: 3-[(E)-(3-bromobenzylidene)amino]-2-butyl-isothiourea Formula: C12H16BrN3S MolecularWeight: 314.24454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrN3S/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+