1-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]-3-(2-methoxyethyl)thiourea

Systemtic Name: 1-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-(2-methoxyethyl)thiourea CAS Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-(2-methoxyethyl)thiourea Formula: C16H18ClN5O5S2 MolecularWeight: 459.92762

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN5O5S2/c1-27-8-7-18-16(28)20-19-14-6-5-13(10-15(14)22(23)24)29(25,26)21-12-4-2-3-11(17)9-12/h2-6,9-10,19,21H,7-8H2,1H3,(H2,18,20,28)