N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C

InChI

InChI=1S/C21H24N2O4S2/c1-15-11-12-17(27-3)19-20(15)28-21(23(19)2)22-18(24)10-7-13-29(25,26)14-16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-14H2,1-3H3