N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide

Systemtic Name: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide Openeye Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide IUPAC Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C

InChI

InChI=1S/C22H21ClN2O2S/c1-3-5-6-14-27-18-10-7-16(8-11-18)21(26)24-22-25(13-4-2)19-12-9-17(23)15-20(19)28-22/h2,7-12,15H,3,5-6,13-14H2,1H3