ethyl 2-[(4-chlorophenyl)carbamothioyl]-1,2-diazinane-1-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbamothioyl]-1,2-diazinane-1-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)carbamothioyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[(4-chloroanilino)-sulfanylidenemethyl]-1-diazinanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)carbamothioyl]diazinane-1-carboxylate Traditional Name: 2-[(4-chlorophenyl)thiocarbamoyl]hexahydropyridazine-1-carboxylic acid ethyl ester Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCN1C(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCCCN1C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN3O2S/c1-2-20-14(19)18-10-4-3-9-17(18)13(21)16-12-7-5-11(15)6-8-12/h5-8H,2-4,9-10H2,1H3,(H,16,21)