1-butyl-3-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-butyl-3-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]thiourea Openeye Name: 1-butyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]thiourea CAS Name: 1-butyl-3-[[oxo-[4-(1-tetrazolyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-butyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]thiourea Traditional Name: 1-butyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]thiourea Formula: C13H17N7OS MolecularWeight: 319.38538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)N2C=NN=N2

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)N2C=NN=N2

InChI

InChI=1S/C13H17N7OS/c1-2-3-8-14-13(22)17-16-12(21)10-4-6-11(7-5-10)20-9-15-18-19-20/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H2,14,17,22)