1-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[[[4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[[4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-3-(3-morpholinopropyl)thiourea Formula: C20H27N7O4S MolecularWeight: 461.53788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O4S/c1-15-13-18(27(29)30)24-26(15)14-16-3-5-17(6-4-16)19(28)22-23-20(32)21-7-2-8-25-9-11-31-12-10-25/h3-6,13H,2,7-12,14H2,1H3,(H,22,28)(H2,21,23,32)