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

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-heptoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-heptoxyphenyl)-oxomethyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-heptoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-heptoxybenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C31H38N2O3S MolecularWeight: 518.71002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C31H38N2O3S/c1-2-3-4-5-11-22-36-25-18-16-24(17-19-25)29(34)33-31-28(26-14-9-10-15-27(26)37-31)30(35)32-21-20-23-12-7-6-8-13-23/h6-8,12-13,16-19H,2-5,9-11,14-15,20-22H2,1H3,(H,32,35)(H,33,34)