propyl 4-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-isopropylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(cumoylthiocarbamoylamino)benzoic acid propyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H24N2O3S/c1-4-13-26-20(25)17-9-11-18(12-10-17)22-21(27)23-19(24)16-7-5-15(6-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,22,23,24,27)