butyl N'-[[(E)-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: butyl N'-[[(E)-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 2-butyl-3-[[(E)-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea CAS Name: N'-[[(E)-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[[(E)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 2-butyl-3-[[(E)-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NNC=C1C=C(C=CC1=O)C)N

Isomeric SMILES

CCCCS/C(=N/N/C=C/1\C=C(C=CC1=O)C)/N

InChI

InChI=1S/C13H19N3OS/c1-3-4-7-18-13(14)16-15-9-11-8-10(2)5-6-12(11)17/h5-6,8-9,15H,3-4,7H2,1-2H3,(H2,14,16)/b11-9+