2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: 2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-N-(3-morpholinopropyl)benzamide CAS Name: 2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-N-(3-morpholinopropyl)benzamide Formula: C27H32N4O4S3 MolecularWeight: 572.76238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C(=O)NCCCN4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C27H32N4O4S3/c1-18-6-3-9-21(26(32)30-10-5-11-31-12-14-35-15-13-31)24(18)19-7-4-8-20(16-19)38(33,34)23-17-22(25(28)29)37-27(23)36-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H3,28,29)(H,30,32)