3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[2-keto-2-(4-methylpiperazino)ethyl]-1-methyl-thiourea Formula: C15H20ClN5O3S MolecularWeight: 385.869

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H20ClN5O3S/c1-18-5-7-20(8-6-18)14(22)10-19(2)15(25)17-13-9-11(21(23)24)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3,(H,17,25)