propyl 4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-isopropoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-isopropoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-4-12-26-20(25)15-8-10-17(11-9-15)22-21(28)23-19(24)16-6-5-7-18(13-16)27-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H2,22,23,24,28)