N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)N2CC#C

InChI

InChI=1S/C21H20N2O3S2/c1-4-11-23-18-13-15(2)16(3)14-19(18)27-21(23)22-20(24)10-12-28(25,26)17-8-6-5-7-9-17/h1,5-9,13-14H,10-12H2,2-3H3