N-[bis(azanyl)methylidene]-3-[[carbamimidoyl(phenylcarbonyl)sulfamoyl]carbamoylamino]benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-3-[[carbamimidoyl(phenylcarbonyl)sulfamoyl]carbamoylamino]benzamide Openeye Name: 3-[[benzoyl(carbamimidoyl)sulfamoyl]carbamoylamino]-N-(diaminomethylene)benzamide CAS Name: 3-[[[[benzoyl(carbamimidoyl)sulfamoyl]amino]-oxomethyl]amino]-N-(diaminomethylidene)benzamide IUPAC Name: 3-[[benzoyl(carbamimidoyl)sulfamoyl]carbamoylamino]-N-(diaminomethylidene)benzamide Traditional Name: 3-[[amidino(benzoyl)sulfamoyl]carbamoylamino]-N-(diaminomethylene)benzamide Formula: C17H18N8O5S MolecularWeight: 446.44042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(C(=N)N)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(C(=N)N)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C17H18N8O5S/c18-15(19)23-13(26)11-7-4-8-12(9-11)22-17(28)24-31(29,30)25(16(20)21)14(27)10-5-2-1-3-6-10/h1-9H,(H3,20,21)(H2,22,24,28)(H4,18,19,23,26)