N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-tosyl-propionamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

InChI

InChI=1S/C22H22N2O3S2/c1-5-11-24-19-13-16(3)17(4)14-20(19)28-22(24)23-21(25)10-12-29(26,27)18-8-6-15(2)7-9-18/h1,6-9,13-14H,10-12H2,2-4H3