butyl 4-(quinolin-2-ylcarbothioylamino)benzoate

Systemtic Name: butyl 4-(quinolin-2-ylcarbothioylamino)benzoate Openeye Name: butyl 4-(quinoline-2-carbothioylamino)benzoate CAS Name: 4-[[2-quinolinyl(sulfanylidene)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(quinoline-2-carbothioylamino)benzoate Traditional Name: 4-(quinoline-2-carbothioylamino)benzoic acid butyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O2S/c1-2-3-14-25-21(24)16-8-11-17(12-9-16)22-20(26)19-13-10-15-6-4-5-7-18(15)23-19/h4-13H,2-3,14H2,1H3,(H,22,26)