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

Systemtic Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S2/c1-14-7-6-10-16-18(14)21(2)19(25-16)20-17(22)11-12-26(23,24)13-15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3