N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H20N2O2S MolecularWeight: 412.5035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H20N2O2S/c1-3-15-27-22-14-13-21(29-2)17-23(22)30-25(27)26-24(28)20-11-9-19(10-12-20)16-18-7-5-4-6-8-18/h1,4-14,17H,15-16H2,2H3