1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-[(2S)-2-ethylhexyl]thiourea

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3-[(2S)-2-ethylhexyl]thiourea Formula: C18H27N5OS2 MolecularWeight: 393.56988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C18H27N5OS2/c1-3-5-8-13(4-2)11-19-17(25)23-22-16(24)12-26-18-20-14-9-6-7-10-15(14)21-18/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,20,21)(H,22,24)(H2,19,23,25)/t13-/m0/s1