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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-benzylsulfanyl-propanamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-(phenylmethylthio)propanamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-benzylsulfanylpropanamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-(benzylthio)propionamide Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S2/c26-20-11-10-17(14-18(20)23-25-19-8-4-5-9-21(19)29-23)24-22(27)12-13-28-15-16-6-2-1-3-7-16/h1-11,14,25H,12-13,15H2,(H,24,27)/b23-18+