1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-[3-(methylthio)propyl]thiourea Formula: C12H17ClN4O3S3 MolecularWeight: 396.93638

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Isomeric SMILES

CSCCCNC(=S)NNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

InChI

InChI=1S/C12H17ClN4O3S3/c1-22-6-2-5-15-12(21)17-16-11(18)8-3-4-9(13)10(7-8)23(14,19)20/h3-4,7H,2,5-6H2,1H3,(H,16,18)(H2,14,19,20)(H2,15,17,21)