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

Systemtic Name: 2-[(4-acetamidophenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-acetamidobenzoyl)amino]-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-acetamidophenyl)-oxomethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-acetamidobenzoyl)amino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-acetamidobenzoyl)amino]-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S/c1-16(29)27-19-13-11-18(12-14-19)23(30)28-25-22(20-9-5-6-10-21(20)32-25)24(31)26-15-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,26,31)(H,27,29)(H,28,30)