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

Systemtic Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4)C(=O)N

InChI

InChI=1S/C24H21N3O3S2/c25-21(28)20-16-9-3-6-12-19(16)32-23(20)27-22(29)15-8-2-1-7-14(15)13-31-24-26-17-10-4-5-11-18(17)30-24/h1-2,4-5,7-8,10-11H,3,6,9,12-13H2,(H2,25,28)(H,27,29)