propan-2-yl 4-(pentanoylcarbamothioylamino)benzoate

Systemtic Name: propan-2-yl 4-(pentanoylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(pentanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(pentanoylcarbamothioylamino)benzoate Traditional Name: 4-(valerylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC(C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC(C)C

InChI

InChI=1S/C16H22N2O3S/c1-4-5-6-14(19)18-16(22)17-13-9-7-12(8-10-13)15(20)21-11(2)3/h7-11H,4-6H2,1-3H3,(H2,17,18,19,22)