1-(3-carbamimidoylphenyl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]sulfanyl-urea

Systemtic Name: 1-(3-carbamimidoylphenyl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]sulfanyl-urea Openeye Name: 1-[4-(benzylsulfamoyl)phenyl]sulfanyl-3-(3-carbamimidoylphenyl)urea CAS Name: 1-(3-carbamimidoylphenyl)-3-[[4-[(phenylmethyl)sulfamoyl]phenyl]thio]urea IUPAC Name: 1-[4-(benzylsulfamoyl)phenyl]sulfanyl-3-(3-carbamimidoylphenyl)urea Traditional Name: 1-(3-amidinophenyl)-3-[[4-(benzylsulfamoyl)phenyl]thio]urea Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)SNC(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)SNC(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H21N5O3S2/c22-20(23)16-7-4-8-17(13-16)25-21(27)26-30-18-9-11-19(12-10-18)31(28,29)24-14-15-5-2-1-3-6-15/h1-13,24H,14H2,(H3,22,23)(H2,25,26,27)