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

Systemtic Name: 1-butyl-3-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]thiourea Openeye Name: 1-butyl-3-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]thiourea CAS Name: 1-butyl-3-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]thiourea IUPAC Name: 1-butyl-3-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]thiourea Traditional Name: 1-butyl-3-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]thiourea Formula: C17H20ClN5O4S2 MolecularWeight: 457.9548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4S2/c1-2-3-9-19-17(28)21-20-15-8-7-14(11-16(15)23(24)25)29(26,27)22-13-6-4-5-12(18)10-13/h4-8,10-11,20,22H,2-3,9H2,1H3,(H2,19,21,28)