ethyl 4-[[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(2-methoxy-2-oxo-ethyl)phenyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2-methoxy-2-oxoethyl)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(2-keto-2-methoxy-ethyl)phenyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C17H23N3O4S/c1-3-24-17(22)20-10-8-19(9-11-20)16(25)18-14-6-4-13(5-7-14)12-15(21)23-2/h4-7H,3,8-12H2,1-2H3,(H,18,25)