N-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-3-(phenylthio)propanamide IUPAC Name: N-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-3-(phenylthio)propionamide Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC2=CC(=O)/C(=C\3/NC4=CC=CC=C4S3)/C=C2

InChI

InChI=1S/C22H18N2O2S2/c25-19-14-15(23-21(26)12-13-27-16-6-2-1-3-7-16)10-11-17(19)22-24-18-8-4-5-9-20(18)28-22/h1-11,14,24H,12-13H2,(H,23,26)/b22-17-