N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-propanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-propanamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-propanamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-propionamide Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCOC3=CC=CC=C3)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCOC3=CC=CC=C3)N2CC#C

InChI

InChI=1S/C21H20N2O2S/c1-4-11-23-18-13-15(2)16(3)14-19(18)26-21(23)22-20(24)10-12-25-17-8-6-5-7-9-17/h1,5-9,13-14H,10-12H2,2-3H3