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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC

InChI

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