[[(Z)-N-(2-methyl-1-benzothiophen-3-yl)-N'-(methylideneamino)-N-oxidanyl-carbamimidoyl]amino] 4-methylbenzenesulfonate

Systemtic Name: [[(Z)-N-(2-methyl-1-benzothiophen-3-yl)-N'-(methylideneamino)-N-oxidanyl-carbamimidoyl]amino] 4-methylbenzenesulfonate Openeye Name: [[(Z)-N-hydroxy-N-(2-methylbenzothiophen-3-yl)-N'-(methyleneamino)carbamimidoyl]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[(Z)-[hydroxy-(2-methyl-1-benzothiophen-3-yl)amino]-(methylenehydrazinylidene)methyl]amino] ester IUPAC Name: [[(Z)-N-hydroxy-N-(2-methyl-1-benzothiophen-3-yl)-N'-(methylideneamino)carbamimidoyl]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[(Z)-N-hydroxy-N-(2-methylbenzothiophen-3-yl)-N'-(methyleneamino)amidino]amino] ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC(=NN=C)N(C2=C(SC3=CC=CC=C32)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON/C(=N/N=C)/N(C2=C(SC3=CC=CC=C32)C)O

InChI

InChI=1S/C18H18N4O4S2/c1-12-8-10-14(11-9-12)28(24,25)26-21-18(20-19-3)22(23)17-13(2)27-16-7-5-4-6-15(16)17/h4-11,23H,3H2,1-2H3,(H,20,21)