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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-3-p-phenetyl-thiourea Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N7O2S/c1-2-27-15-10-8-14(9-11-15)19-18(28)22-20-16(26)12-25-23-17(21-24-25)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,26)(H2,19,22,28)