N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylcarbonyl)benzamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-benzoyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-benzoyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzoyl-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C26H20N2O3S MolecularWeight: 440.5136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C26H20N2O3S/c1-3-16-28-22-15-14-21(31-4-2)17-23(22)32-26(28)27-25(30)20-12-10-19(11-13-20)24(29)18-8-6-5-7-9-18/h1,5-15,17H,4,16H2,2H3