N-[2-(phenylmethylsulfanyl)ethyl]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3-pyrrol-1-yl-benzamide CAS Name: N-[2-(phenylmethylthio)ethyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-pyrrol-1-ylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-pyrrol-1-yl-benzamide Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C20H20N2OS/c23-20(21-11-14-24-16-17-7-2-1-3-8-17)18-9-6-10-19(15-18)22-12-4-5-13-22/h1-10,12-13,15H,11,14,16H2,(H,21,23)