butyl 4-[(4-propan-2-ylphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-propan-2-ylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-isopropylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-propan-2-ylphenyl)carbamothioylamino]benzoate Traditional Name: 4-(p-cumenylthiocarbamoylamino)benzoic acid butyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-4-5-14-25-20(24)17-8-12-19(13-9-17)23-21(26)22-18-10-6-16(7-11-18)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H2,22,23,26)