S-(methylamino) N-[5-chloranyl-2-(1-oxidanyl-1-phenyl-pentyl)phenyl]carbamothioate

Systemtic Name: S-(methylamino) N-[5-chloranyl-2-(1-oxidanyl-1-phenyl-pentyl)phenyl]carbamothioate Openeye Name: S-(methylamino) N-[5-chloro-2-(1-hydroxy-1-phenyl-pentyl)phenyl]carbamothioate CAS Name: N-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]carbamothioate Traditional Name: N-[5-chloro-2-(1-hydroxy-1-phenyl-pentyl)phenyl]thiocarbamic acid S-(methylamino) ester Formula: C19H23ClN2O2S MolecularWeight: 378.91612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)(C2=C(C=C(C=C2)Cl)NC(=O)SNC)O

Isomeric SMILES

CCCCC(C1=CC=CC=C1)(C2=C(C=C(C=C2)Cl)NC(=O)SNC)O

InChI

InChI=1S/C19H23ClN2O2S/c1-3-4-12-19(24,14-8-6-5-7-9-14)16-11-10-15(20)13-17(16)22-18(23)25-21-2/h5-11,13,21,24H,3-4,12H2,1-2H3,(H,22,23)