4-[3-[4-[(N'-hexylcarbamimidoyl)amino]-2-methyl-phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[3-[4-[(N'-hexylcarbamimidoyl)amino]-2-methyl-phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[3-[4-[(N'-hexylcarbamimidoyl)amino]-2-methyl-phenyl]phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[3-[4-[[amino(hexylimino)methyl]amino]-2-methylphenyl]phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-[4-[(N'-hexylcarbamimidoyl)amino]-2-methylphenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-[4-[(N'-hexylamidino)amino]-2-methyl-phenyl]phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C26H33N5O2S3 MolecularWeight: 543.76752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2S3/c1-4-5-6-7-13-30-26(29)31-19-11-12-21(17(2)14-19)18-9-8-10-20(15-18)36(32,33)23-16-22(24(27)28)35-25(23)34-3/h8-12,14-16H,4-7,13H2,1-3H3,(H3,27,28)(H3,29,30,31)