1-[2-(phenylmethylsulfanyl)ethanoylamino]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethanoylamino]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-(4-sulfamoylphenyl)thiourea Formula: C16H18N4O3S3 MolecularWeight: 410.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H18N4O3S3/c17-26(22,23)14-8-6-13(7-9-14)18-16(24)20-19-15(21)11-25-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)(H2,17,22,23)(H2,18,20,24)