1-[3-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-[3-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]propyl]urea Openeye Name: 3-[4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]propylurea CAS Name: 3-[4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]propylurea IUPAC Name: 3-[4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]propylurea Traditional Name: 3-[4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazino]propylurea Formula: C20H31ClN6OS MolecularWeight: 439.01774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CCCNC(=O)N

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CCCNC(=O)N

InChI

InChI=1S/C20H31ClN6OS/c1-3-14(4-2)29-20-24-16-12-15(21)18(13-17(16)25-20)27-10-8-26(9-11-27)7-5-6-23-19(22)28/h12-14H,3-11H2,1-2H3,(H,24,25)(H3,22,23,28)