N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C)C

InChI

InChI=1S/C23H24N2O4S2/c1-5-12-25-20-15-16(2)14-17(3)22(20)30-23(25)24-21(26)7-6-13-31(27,28)19-10-8-18(29-4)9-11-19/h1,8-11,14-15H,6-7,12-13H2,2-4H3