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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-[(4-methoxyphenyl)amino]ethanoylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(4-methoxyanilino)acetyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(4-methoxyanilino)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(4-methoxyanilino)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(p-anisidino)acetyl]amino]thiourea Formula: C16H16ClN5O4S MolecularWeight: 409.84734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)NCC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN5O4S/c1-26-12-5-2-10(3-6-12)18-9-15(23)20-21-16(27)19-14-8-11(22(24)25)4-7-13(14)17/h2-8,18H,9H2,1H3,(H,20,23)(H2,19,21,27)