1-[2-(cyclohexen-1-yl)ethyl]-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(2-pentylsulfanylpyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-3-[[oxo-[2-(pentylthio)-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea Traditional Name: 1-[[2-(amylthio)nicotinoyl]amino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea Formula: C20H30N4OS2 MolecularWeight: 406.6084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NCCC2=CCCCC2

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NNC(=S)NCCC2=CCCCC2

InChI

InChI=1S/C20H30N4OS2/c1-2-3-7-15-27-19-17(11-8-13-21-19)18(25)23-24-20(26)22-14-12-16-9-5-4-6-10-16/h8-9,11,13H,2-7,10,12,14-15H2,1H3,(H,23,25)(H2,22,24,26)