N-(4-methylphenyl)-3-[[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]amino]benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-3-[[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]amino]benzenesulfonamide Openeye Name: N-(p-tolyl)-3-[[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]amino]benzenesulfonamide CAS Name: 3-[[3-(2-mercaptoethyl)-1,3-benzothiazol-2-ylidene]amino]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-3-[[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]amino]benzenesulfonamide Traditional Name: 3-[[3-(2-mercaptoethyl)-1,3-benzothiazol-2-ylidene]amino]-N-(p-tolyl)benzenesulfonamide Formula: C22H21N3O2S3 MolecularWeight: 455.61604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C3N(C4=CC=CC=C4S3)CCS

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C3N(C4=CC=CC=C4S3)CCS

InChI

InChI=1S/C22H21N3O2S3/c1-16-9-11-17(12-10-16)24-30(26,27)19-6-4-5-18(15-19)23-22-25(13-14-28)20-7-2-3-8-21(20)29-22/h2-12,15,24,28H,13-14H2,1H3