N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanyl-benzamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanyl-benzamide Openeye Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanyl-benzamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(ethylthio)benzamide IUPAC Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanylbenzamide Traditional Name: N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(ethylthio)benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

InChI

InChI=1S/C21H20N2O3S2/c1-5-12-23-18-16(25-3)10-11-17(26-4)19(18)28-21(23)22-20(24)14-8-7-9-15(13-14)27-6-2/h1,7-11,13H,6,12H2,2-4H3