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

Systemtic Name: 1-[2-[4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethyl]urea Openeye Name: 2-[4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethylurea CAS Name: 2-[4-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-1-piperazinyl]ethylurea IUPAC Name: 2-[4-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethylurea Traditional Name: 2-[4-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazino]ethylurea Formula: C19H29ClN6OS MolecularWeight: 424.99116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN6OS/c1-3-13(4-2)28-19-23-15-11-14(20)17(12-16(15)24-19)26-9-7-25(8-10-26)6-5-22-18(21)27/h11-13H,3-10H2,1-2H3,(H,23,24)(H3,21,22,27)