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

Systemtic Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-14-9-10-16(26-3)18-19(14)27-20(22(18)2)21-17(23)11-12-28(24,25)13-15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3