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

Systemtic Name: 1-[[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-phenyl]amino]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[4-[(3-chlorophenyl)sulfamoyl]-2-nitro-anilino]-3-[3-(methylthio)propyl]thiourea Formula: C17H20ClN5O4S3 MolecularWeight: 490.0198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4S3/c1-29-9-3-8-19-17(28)21-20-15-7-6-14(11-16(15)23(24)25)30(26,27)22-13-5-2-4-12(18)10-13/h2,4-7,10-11,20,22H,3,8-9H2,1H3,(H2,19,21,28)