1-butyl-3-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-butyl-3-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]thiourea Openeye Name: 1-butyl-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea CAS Name: 1-butyl-3-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]thiourea IUPAC Name: 1-butyl-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea Traditional Name: 1-butyl-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea Formula: C14H19N7OS MolecularWeight: 333.41196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)CN1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)NNC(=O)CN1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H19N7OS/c1-2-3-9-15-14(23)18-16-12(22)10-21-19-13(17-20-21)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,16,22)(H2,15,18,23)