N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2C

InChI

InChI=1S/C19H19ClN2O3S2/c1-13-10-11-15(20)18-17(13)22(2)19(26-18)21-16(23)9-6-12-27(24,25)14-7-4-3-5-8-14/h3-5,7-8,10-11H,6,9,12H2,1-2H3