N-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[[(E)-3-phenylacryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-2-3-15-23-21(26)20-17-11-7-8-12-18(17)27-22(20)24-19(25)14-13-16-9-5-4-6-10-16/h4-6,9-10,13-14H,2-3,7-8,11-12,15H2,1H3,(H,23,26)(H,24,25)/b14-13+