1-butyl-3-[2-[5-(phenylmethylsulfanyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]thiourea

Systemtic Name: 1-butyl-3-[2-[5-(phenylmethylsulfanyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]thiourea Openeye Name: 1-[2-(5-benzylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-butyl-thiourea CAS Name: 1-butyl-3-[2-[5-(phenylmethylthio)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]thiourea IUPAC Name: 1-[2-(5-benzylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-butylthiourea Traditional Name: 1-[2-[5-(benzylthio)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]-3-butyl-thiourea Formula: C21H26N4S2 MolecularWeight: 398.58794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCCC1=CNC2=NC=C(C=C12)SCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)NCCC1=CNC2=NC=C(C=C12)SCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4S2/c1-2-3-10-22-21(26)23-11-9-17-13-24-20-19(17)12-18(14-25-20)27-15-16-7-5-4-6-8-16/h4-8,12-14H,2-3,9-11,15H2,1H3,(H,24,25)(H2,22,23,26)