(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-butoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-butoxy-3-methoxy-phenyl)acrylamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H24N2O3S/c1-3-4-13-27-18-11-9-16(14-19(18)26-2)10-12-21(25)23-15-22-24-17-7-5-6-8-20(17)28-22/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,25)/b12-10+