4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-mercaptomethyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-sulfanylmethyl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-mercapto-methyl]-N-phenyl-piperazine-1-carbothioamide Formula: C18H18BrN3OS2 MolecularWeight: 436.38902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=C2C=C(C=CC2=O)Br)S)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=C2C=C(C=CC2=O)Br)S)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3OS2/c19-13-6-7-16(23)15(12-13)17(24)21-8-10-22(11-9-21)18(25)20-14-4-2-1-3-5-14/h1-7,12,24H,8-11H2,(H,20,25)