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

Systemtic Name: 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C30H34N2O2S MolecularWeight: 486.66816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O2S/c1-30(2,3)23-16-13-22(14-17-23)15-18-26(33)32-29-27(24-11-7-8-12-25(24)35-29)28(34)31-20-19-21-9-5-4-6-10-21/h4-6,9-10,13-18H,7-8,11-12,19-20H2,1-3H3,(H,31,34)(H,32,33)/b18-15+