[(2S,4S)-2,6-dimethyl-1-(phenylcarbonyl)-3,4-dihydro-2H-quinolin-4-yl] carbamimidothioate

Systemtic Name: [(2S,4S)-2,6-dimethyl-1-(phenylcarbonyl)-3,4-dihydro-2H-quinolin-4-yl] carbamimidothioate Openeye Name: 2-[(2S,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]isothiourea CAS Name: carbamimidothioic acid [(2S,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] ester IUPAC Name: [(2S,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] carbamimidothioate Traditional Name: 2-[(2S,4S)-1-benzoyl-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]isothiourea Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(N1C(=O)C3=CC=CC=C3)C=CC(=C2)C)SC(=N)N

Isomeric SMILES

C[C@H]1C[C@@H](C2=C(N1C(=O)C3=CC=CC=C3)C=CC(=C2)C)SC(=N)N

InChI

InChI=1S/C19H21N3OS/c1-12-8-9-16-15(10-12)17(24-19(20)21)11-13(2)22(16)18(23)14-6-4-3-5-7-14/h3-10,13,17H,11H2,1-2H3,(H3,20,21)/t13-,17-/m0/s1