methyl [[2-[butyl(ethanoyl)amino]-5-(phenylcarbonyl)phenyl]carbamoylamino]sulfanylmethanoate

Systemtic Name: methyl [[2-[butyl(ethanoyl)amino]-5-(phenylcarbonyl)phenyl]carbamoylamino]sulfanylmethanoate Openeye Name: methyl [[2-[acetyl(butyl)amino]-5-benzoyl-phenyl]carbamoylamino]sulfanylformate CAS Name: [[[[2-[acetyl(butyl)amino]-5-benzoylanilino]-oxomethyl]amino]thio]formic acid methyl ester IUPAC Name: methyl [[2-[acetyl(butyl)amino]-5-benzoylphenyl]carbamoylamino]sulfanylformate Traditional Name: [[[2-[acetyl(butyl)amino]-5-benzoyl-phenyl]carbamoylamino]thio]formic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=O)NSC(=O)OC)C(=O)C

Isomeric SMILES

CCCCN(C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)NC(=O)NSC(=O)OC)C(=O)C

InChI

InChI=1S/C22H25N3O5S/c1-4-5-13-25(15(2)26)19-12-11-17(20(27)16-9-7-6-8-10-16)14-18(19)23-21(28)24-31-22(29)30-3/h6-12,14H,4-5,13H2,1-3H3,(H2,23,24,28)