N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butanamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butyramide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C)OC

InChI

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