1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methyl-3-sulfamoyl-phenyl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methyl-3-sulfamoyl-phenyl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methyl-3-sulfamoyl-phenyl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methyl-3-sulfamoylphenyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-methyl-3-sulfamoylphenyl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methyl-3-sulfamoyl-phenyl)thiourea Formula: C16H18ClN3O2S3 MolecularWeight: 415.98102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H18ClN3O2S3/c1-11-2-5-13(10-15(11)25(18,21)22)20-16(23)19-8-9-24-14-6-3-12(17)4-7-14/h2-7,10H,8-9H2,1H3,(H2,18,21,22)(H2,19,20,23)