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

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-butyl-thiourea Openeye Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-butyl-thiourea CAS Name: 1-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-butylthiourea IUPAC Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-butylthiourea Traditional Name: 1-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3-butyl-thiourea Formula: C14H19N5OS2 MolecularWeight: 337.46356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C14H19N5OS2/c1-2-3-8-15-13(21)19-18-12(20)9-22-14-16-10-6-4-5-7-11(10)17-14/h4-7H,2-3,8-9H2,1H3,(H,16,17)(H,18,20)(H2,15,19,21)