1-azanyl-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-methyl-urea

Systemtic Name: 1-azanyl-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-methyl-urea Openeye Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-methyl-urea CAS Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-methylurea IUPAC Name: 1-amino-3-[2-(3-carbamimidoylphenyl)-4-phenyl-3-sulfamoylphenyl]-1-methylurea Traditional Name: 3-[2-(3-amidinophenyl)-4-phenyl-3-sulfamoyl-phenyl]-1-amino-1-methyl-urea Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=C(C(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)N)C3=CC(=CC=C3)C(=N)N)N

Isomeric SMILES

CN(C(=O)NC1=C(C(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)N)C3=CC(=CC=C3)C(=N)N)N

InChI

InChI=1S/C21H22N6O3S/c1-27(24)21(28)26-17-11-10-16(13-6-3-2-4-7-13)19(31(25,29)30)18(17)14-8-5-9-15(12-14)20(22)23/h2-12H,24H2,1H3,(H3,22,23)(H,26,28)(H2,25,29,30)