butan-1-amine; methyl [[3-(phenylcarbonyl)phenyl]carbamoylamino]sulfanylmethanoate

Systemtic Name: butan-1-amine; methyl [[3-(phenylcarbonyl)phenyl]carbamoylamino]sulfanylmethanoate Openeye Name: butan-1-amine; methyl [(3-benzoylphenyl)carbamoylamino]sulfanylformate CAS Name: [[[(3-benzoylanilino)-oxomethyl]amino]thio]formic acid methyl ester; 1-butanamine IUPAC Name: butan-1-amine; methyl [(3-benzoylphenyl)carbamoylamino]sulfanylformate Traditional Name: [[(3-benzoylphenyl)carbamoylamino]thio]formic acid methyl ester; butylamine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.COC(=O)SNC(=O)NC1=CC=CC(=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCN.COC(=O)SNC(=O)NC1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O4S.C4H11N/c1-22-16(21)23-18-15(20)17-13-9-5-8-12(10-13)14(19)11-6-3-2-4-7-11;1-2-3-4-5/h2-10H,1H3,(H2,17,18,20);2-5H2,1H3