(E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-N-phenyl-but-2-enamide

Systemtic Name: (E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-N-phenyl-but-2-enamide Openeye Name: (E)-3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-N-phenyl-but-2-enamide CAS Name: (E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-N-phenyl-2-butenamide IUPAC Name: (E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-N-phenylbut-2-enamide Traditional Name: (E)-3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-N-phenyl-but-2-enamide Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1)/NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C19H19N3OS/c1-13(11-18(23)22-14-7-3-2-4-8-14)21-19-16(12-20)15-9-5-6-10-17(15)24-19/h2-4,7-8,11,21H,5-6,9-10H2,1H3,(H,22,23)/b13-11+