N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)S2)C

InChI

InChI=1S/C20H22N2O4S2/c1-14-6-11-17-18(13-14)27-20(22(17)2)21-19(23)5-4-12-28(24,25)16-9-7-15(26-3)8-10-16/h6-11,13H,4-5,12H2,1-3H3