4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-[(N-azanyl-N'-prop-2-enyl-carbamimidoyl)sulfamoyl]-2-chloranyl-N-phenyl-benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-[(N-azanyl-N'-prop-2-enyl-carbamimidoyl)sulfamoyl]-2-chloranyl-N-phenyl-benzamide Openeye Name: 5-[(N'-allyl-N-amino-carbamimidoyl)sulfamoyl]-4-(2-amino-2-oxo-ethyl)sulfanyl-2-chloro-N-phenyl-benzamide CAS Name: 4-[(2-amino-2-oxoethyl)thio]-2-chloro-5-[[hydrazinyl(prop-2-enylimino)methyl]sulfamoyl]-N-phenylbenzamide IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-5-[(N-amino-N'-prop-2-enylcarbamimidoyl)sulfamoyl]-2-chloro-N-phenylbenzamide Traditional Name: 5-[(N'-allyl-N-amino-amidino)sulfamoyl]-4-[(2-amino-2-keto-ethyl)thio]-2-chloro-N-phenyl-benzamide Formula: C19H21ClN6O4S2 MolecularWeight: 496.99084

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NN)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=CC=C2)Cl)SCC(=O)N

Isomeric SMILES

C=CCN=C(NN)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=CC=C2)Cl)SCC(=O)N

InChI

InChI=1S/C19H21ClN6O4S2/c1-2-8-23-19(25-22)26-32(29,30)16-9-13(14(20)10-15(16)31-11-17(21)27)18(28)24-12-6-4-3-5-7-12/h2-7,9-10H,1,8,11,22H2,(H2,21,27)(H,24,28)(H2,23,25,26)