butyl 4-[(3-ethanoylphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-ethanoylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(3-acetylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-acetylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-acetylphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C20H22N2O3S/c1-3-4-12-25-19(24)15-8-10-17(11-9-15)21-20(26)22-18-7-5-6-16(13-18)14(2)23/h5-11,13H,3-4,12H2,1-2H3,(H2,21,22,26)