4-(4-methylphenyl)sulfonyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-propargyl-1,3-benzothiazol-2-ylidene)-4-tosyl-butyramide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=CC=CC=C3S2)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=CC=CC=C3S2)CC#C

InChI

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