1-(2-chloranyl-5-nitro-phenyl)-3-[2-[(4-methylphenyl)amino]ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-[(4-methylphenyl)amino]ethanoylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(4-methylanilino)acetyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(4-methylanilino)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(4-methylanilino)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(p-toluidino)acetyl]amino]thiourea Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)NCC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN5O3S/c1-10-2-4-11(5-3-10)18-9-15(23)20-21-16(26)19-14-8-12(22(24)25)6-7-13(14)17/h2-8,18H,9H2,1H3,(H,20,23)(H2,19,21,26)