butyl 4-(pyrrolidin-2-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(pyrrolidin-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: butyl 4-(pyrrolidine-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[oxo(2-pyrrolidinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(pyrrolidine-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(prolylthiocarbamoylamino)benzoic acid butyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCCN2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCCN2

InChI

InChI=1S/C17H23N3O3S/c1-2-3-11-23-16(22)12-6-8-13(9-7-12)19-17(24)20-15(21)14-5-4-10-18-14/h6-9,14,18H,2-5,10-11H2,1H3,(H2,19,20,21,24)