(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)-N-(3-methylbutyl)but-3-enamide

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)-N-(3-methylbutyl)but-3-enamide Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)-N-isopentyl-but-3-enamide CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)-N-(3-methylbutyl)-3-butenamide IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)-N-(3-methylbutyl)but-3-enamide Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-butoxyphenyl)-N-isoamyl-but-3-enamide Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(CC(=O)NCCC(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/CC(=O)NCCC(C)C)\C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C26H32N2O2S/c1-4-5-16-30-22-12-10-20(11-13-22)17-21(18-25(29)27-15-14-19(2)3)26-28-23-8-6-7-9-24(23)31-26/h6-13,17,19H,4-5,14-16,18H2,1-3H3,(H,27,29)/b21-17-