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

Systemtic Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2C

InChI

InChI=1S/C20H22N2O3S2/c1-15-8-6-11-17-19(15)22(2)20(26-17)21-18(23)12-7-13-27(24,25)14-16-9-4-3-5-10-16/h3-6,8-11H,7,12-14H2,1-2H3