butyl 4-(pyrrolidin-1-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(pyrrolidin-1-ylcarbonylcarbamothioylamino)benzoate Openeye Name: butyl 4-(pyrrolidine-1-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[oxo(1-pyrrolidinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(pyrrolidine-1-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(pyrrolidine-1-carbonylthiocarbamoylamino)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)N2CCCC2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)N2CCCC2

InChI

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