11-azanyl-N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]undecanamide

Systemtic Name: 11-azanyl-N-[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]undecanamide Openeye Name: 11-amino-N-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]undecanamide CAS Name: 11-amino-N-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]undecanamide IUPAC Name: 11-amino-N-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]undecanamide Traditional Name: N-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]-11-amino-undecanamide Formula: C30H40N4O3S3 MolecularWeight: 600.8586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCCCCCCCCCN)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCCCCCCCCCN)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C30H40N4O3S3/c1-21-13-11-16-24(34-27(35)17-9-7-5-3-4-6-8-10-18-31)28(21)22-14-12-15-23(19-22)40(36,37)26-20-25(29(32)33)39-30(26)38-2/h11-16,19-20H,3-10,17-18,31H2,1-2H3,(H3,32,33)(H,34,35)