(E)-N-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-isoamoxy-3-methoxy-phenyl)acrylamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H24N2O3S/c1-15(2)12-13-27-18-10-8-16(14-19(18)26-3)9-11-21(25)24-22-23-17-6-4-5-7-20(17)28-22/h4-11,14-15H,12-13H2,1-3H3,(H,23,24,25)/b11-9+