butyl N'-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: butyl N'-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 2-butyl-3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea CAS Name: N'-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 2-butyl-3-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3OS/c1-2-3-8-17-12(13)15-14-9-10-6-4-5-7-11(10)16/h4-7,9,14H,2-3,8H2,1H3,(H2,13,15)/b10-9-