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

Systemtic Name: N-(6-chloranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide Openeye Name: N-(3-allyl-6-chloro-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide CAS Name: N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide IUPAC Name: N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide Traditional Name: N-(3-allyl-6-chloro-1,3-benzothiazol-2-ylidene)-3-amoxy-benzamide Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2S/c1-3-5-6-13-27-18-9-7-8-16(14-18)21(26)24-22-25(12-4-2)19-11-10-17(23)15-20(19)28-22/h4,7-11,14-15H,2-3,5-6,12-13H2,1H3