N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C

InChI

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