O-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)] N-phenylcarbamothioate

Systemtic Name: O-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)] N-phenylcarbamothioate Openeye Name: O-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)] ester IUPAC Name: O-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]] ester Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)OC(=S)NC3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)OC(=S)NC3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C21H17N3OS2/c22-13-16-19(18-11-6-12-27-18)15-9-4-5-10-17(15)24-20(16)25-21(26)23-14-7-2-1-3-8-14/h1-3,6-8,11-12H,4-5,9-10H2,(H,23,26)