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

Systemtic Name: 2-[(4-pentoxyphenyl)carbonylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-pentoxybenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[oxo-(4-pentoxyphenyl)methyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-pentoxybenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-amoxybenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-2-3-9-18-32-21-16-14-19(15-17-21)25(30)29-27-24(22-12-7-8-13-23(22)33-27)26(31)28-20-10-5-4-6-11-20/h4-6,10-11,14-17H,2-3,7-9,12-13,18H2,1H3,(H,28,31)(H,29,30)