(4-chlorophenyl)methyl N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate

Systemtic Name: (4-chlorophenyl)methyl N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate Openeye Name: 2-[(4-chlorophenyl)methyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isothiourea CAS Name: N'-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]carbamimidothioic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamimidothioate Traditional Name: 2-(4-chlorobenzyl)-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]isothiourea Formula: C15H14ClN3OS MolecularWeight: 319.80916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CNN=C(N)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=O)C=CC1=CN/N=C(\N)/SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClN3OS/c16-13-5-1-12(2-6-13)10-21-15(17)19-18-9-11-3-7-14(20)8-4-11/h1-9,18H,10H2,(H2,17,19)