(E)-3-(1-butylindol-3-yl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(1-butylindol-3-yl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(1-butylindol-3-yl)-2-cyano-N-(4-phenylthiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(1-butyl-3-indolyl)-2-cyano-N-(4-phenyl-2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-(1-butylindol-3-yl)-2-cyano-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(1-butylindol-3-yl)-2-cyano-N-(4-phenylthiazol-2-yl)acrylamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4OS/c1-2-3-13-29-16-20(21-11-7-8-12-23(21)29)14-19(15-26)24(30)28-25-27-22(17-31-25)18-9-5-4-6-10-18/h4-12,14,16-17H,2-3,13H2,1H3,(H,27,28,30)/b19-14+