(E)-3-(4-butoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-butoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-3-4-13-25-17-9-6-16(7-10-17)8-12-20(24)23-21-22-18-11-5-15(2)14-19(18)26-21/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)/b12-8+