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

Systemtic Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-phenethyl-2-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-phenethyl-2-[[(E)-3-(p-tolyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2S/c1-19-11-13-21(14-12-19)15-16-24(30)29-27-25(22-9-5-6-10-23(22)32-27)26(31)28-18-17-20-7-3-2-4-8-20/h2-4,7-8,11-16H,5-6,9-10,17-18H2,1H3,(H,28,31)(H,29,30)/b16-15+