3-pentoxy-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3-pentoxy-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3-pentoxy-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-pentoxy-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-pentoxy-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-amoxy-N-(3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC#C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC#C

InChI

InChI=1S/C22H22N2O2S/c1-3-5-8-15-26-18-11-9-10-17(16-18)21(25)23-22-24(14-4-2)19-12-6-7-13-20(19)27-22/h2,6-7,9-13,16H,3,5,8,14-15H2,1H3