(NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-4-propan-2-yl-benzenesulfonamide Openeye Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-4-isopropyl-benzenesulfonamide CAS Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-oxo-1-cyclohexa-2,5-dienylidene]-4-propan-2-ylbenzenesulfonamide IUPAC Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-propan-2-ylbenzenesulfonamide Traditional Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-keto-cyclohexa-2,5-dien-1-ylidene]-4-isopropyl-benzenesulfonamide Formula: C22H18N2O3S3 MolecularWeight: 454.58492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C(=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=CC(=O)C(=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O3S3/c1-14(2)15-7-10-17(11-8-15)30(26,27)24-16-9-12-19(25)21(13-16)29-22-23-18-5-3-4-6-20(18)28-22/h3-14H,1-2H3/b24-16+