1-[(4-chlorophenyl)methyl]-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(4-chlorobenzyl)-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C15H17ClN6O4S MolecularWeight: 412.85128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC1=CC=C(C=C1)Cl)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=S)NCC1=CC=C(C=C1)Cl)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN6O4S/c1-9(21-8-12(22(24)25)14(20-21)26-2)13(23)18-19-15(27)17-7-10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,23)(H2,17,19,27)