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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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