4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCCSC3=CC=C(C=C3)Cl)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCCSC3=CC=C(C=C3)Cl)N2CC#C

InChI

InChI=1S/C22H21ClN2O3S2/c1-4-13-25-20-17(27-2)11-12-18(28-3)21(20)30-22(25)24-19(26)6-5-14-29-16-9-7-15(23)8-10-16/h1,7-12H,5-6,13-14H2,2-3H3