2-(2-naphthalen-1-ylsulfanylethanoylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2-naphthalen-1-ylsulfanylethanoylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(1-naphthylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1-naphthalenylthio)-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(2-naphthalen-1-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(1-naphthylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=CC=CC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=CC=CC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O2S2/c31-25(18-33-23-16-8-12-20-11-4-5-13-21(20)23)30-28-26(22-14-6-7-15-24(22)34-28)27(32)29-17-19-9-2-1-3-10-19/h1-5,8-13,16H,6-7,14-15,17-18H2,(H,29,32)(H,30,31)