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

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butanamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butyramide Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C22H22N2O2S2/c1-3-14-24-19-13-12-17(26-4-2)16-20(19)28-22(24)23-21(25)11-8-15-27-18-9-6-5-7-10-18/h1,5-7,9-10,12-13,16H,4,8,11,14-15H2,2H3