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

Systemtic Name: 2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-methoxy-4-(methylthio)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S2/c1-30-20-14-17(31-2)12-13-18(20)23(28)27-25-22(19-10-6-7-11-21(19)32-25)24(29)26-15-16-8-4-3-5-9-16/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,26,29)(H,27,28)