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

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propanamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propionamide Formula: C21H20N2O2S2 MolecularWeight: 396.5257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C21H20N2O2S2/c1-3-13-23-18-11-10-16(25-4-2)15-19(18)27-21(23)22-20(24)12-14-26-17-8-6-5-7-9-17/h1,5-11,15H,4,12-14H2,2H3