1-(3-ethoxypropyl)-3-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-ethoxypropyl)-3-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-(3-ethoxypropyl)-3-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea CAS Name: 1-(3-ethoxypropyl)-3-[[[4-[(4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-ethoxypropyl)-3-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea Traditional Name: 1-(3-ethoxypropyl)-3-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4S/c1-2-27-9-3-8-18-17(28)21-20-16(24)14-6-4-13(5-7-14)11-22-12-15(10-19-22)23(25)26/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,24)(H2,18,21,28)