6-(1H-benzimidazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-pyridin-3-yl-heptanamide

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-pyridin-3-yl-heptanamide Openeye Name: 6-(1H-benzimidazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-(3-pyridyl)heptanamide CAS Name: 6-(1H-benzimidazol-2-ylthio)-2,4-bis(ethylthio)-N-(3-pyridinyl)heptanamide IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-pyridin-3-ylheptanamide Traditional Name: 6-(1H-benzimidazol-2-ylthio)-2,4-bis(ethylthio)-N-(3-pyridyl)enanthamide Formula: C23H30N4OS3 MolecularWeight: 474.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(C)SC1=NC2=CC=CC=C2N1)CC(C(=O)NC3=CN=CC=C3)SCC

Isomeric SMILES

CCSC(CC(C)SC1=NC2=CC=CC=C2N1)CC(C(=O)NC3=CN=CC=C3)SCC

InChI

InChI=1S/C23H30N4OS3/c1-4-29-18(13-16(3)31-23-26-19-10-6-7-11-20(19)27-23)14-21(30-5-2)22(28)25-17-9-8-12-24-15-17/h6-12,15-16,18,21H,4-5,13-14H2,1-3H3,(H,25,28)(H,26,27)