N-[4-(2-ethylsulfanylcarbothioylsulfanylethanoyl)phenyl]quinoline-3-carboxamide

Systemtic Name: N-[4-(2-ethylsulfanylcarbothioylsulfanylethanoyl)phenyl]quinoline-3-carboxamide Openeye Name: N-[4-(2-ethylsulfanylcarbothioylsulfanylacetyl)phenyl]quinoline-3-carboxamide CAS Name: N-[4-[2-[[(ethylthio)-sulfanylidenemethyl]thio]-1-oxoethyl]phenyl]-3-quinolinecarboxamide IUPAC Name: N-[4-(2-ethylsulfanylcarbothioylsulfanylacetyl)phenyl]quinoline-3-carboxamide Traditional Name: N-[4-[2-[(ethylthio)carbothioylthio]acetyl]phenyl]quinoline-3-carboxamide Formula: C21H18N2O2S3 MolecularWeight: 426.57482

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)SCC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCSC(=S)SCC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H18N2O2S3/c1-2-27-21(26)28-13-19(24)14-7-9-17(10-8-14)23-20(25)16-11-15-5-3-4-6-18(15)22-12-16/h3-12H,2,13H2,1H3,(H,23,25)