6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[(1-oxo-2,3,3-triphenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C31H30N2O2S MolecularWeight: 494.6471

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O2S/c1-20-17-18-24-25(19-20)36-31(28(24)29(32)34)33-30(35)27(23-15-9-4-10-16-23)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,20,26-27H,17-19H2,1H3,(H2,32,34)(H,33,35)