2-[(4-butoxyphenyl)carbonylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-butoxyphenyl)carbonylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-butoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-butoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-butoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O3S/c1-2-3-19-33-22-15-13-21(14-16-22)26(31)30-28-25(23-11-7-8-12-24(23)34-28)27(32)29-18-17-20-9-5-4-6-10-20/h4-6,9-10,13-16H,2-3,7-8,11-12,17-19H2,1H3,(H,29,32)(H,30,31)