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

Systemtic Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C23H20N2O3S2 MolecularWeight: 436.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2

InChI

InChI=1S/C23H20N2O3S2/c1-28-16-7-9-17(10-8-16)29-13-12-22(27)24-15-6-11-20(26)18(14-15)23-25-19-4-2-3-5-21(19)30-23/h2-11,14,25H,12-13H2,1H3,(H,24,27)