ethyl 2-[(4-bromanyl-3-butan-2-yloxycarbonyl-phenyl)carbamothioyl]pyrazolidine-1-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-3-butan-2-yloxycarbonyl-phenyl)carbamothioyl]pyrazolidine-1-carboxylate Openeye Name: ethyl 2-[(4-bromo-3-sec-butoxycarbonyl-phenyl)carbamothioyl]pyrazolidine-1-carboxylate CAS Name: 2-[[4-bromo-3-[butan-2-yloxy(oxo)methyl]anilino]-sulfanylidenemethyl]-1-pyrazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-3-butan-2-yloxycarbonylphenyl)carbamothioyl]pyrazolidine-1-carboxylate Traditional Name: 2-[(4-bromo-3-sec-butoxycarbonyl-phenyl)thiocarbamoyl]pyrazolidine-1-carboxylic acid ethyl ester Formula: C18H24BrN3O4S MolecularWeight: 458.36986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)N2CCCN2C(=O)OCC)Br

Isomeric SMILES

CCC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)N2CCCN2C(=O)OCC)Br

InChI

InChI=1S/C18H24BrN3O4S/c1-4-12(3)26-16(23)14-11-13(7-8-15(14)19)20-17(27)21-9-6-10-22(21)18(24)25-5-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,27)