S-(3-methyl-4-prop-2-enoxy-5,6,7,8-tetrahydroquinolin-8-yl) 1H-benzimidazole-2-carbothioate

Systemtic Name: S-(3-methyl-4-prop-2-enoxy-5,6,7,8-tetrahydroquinolin-8-yl) 1H-benzimidazole-2-carbothioate Openeye Name: S-(4-allyloxy-3-methyl-5,6,7,8-tetrahydroquinolin-8-yl) 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-(3-methyl-4-prop-2-enoxy-5,6,7,8-tetrahydroquinolin-8-yl) ester IUPAC Name: S-(3-methyl-4-prop-2-enoxy-5,6,7,8-tetrahydroquinolin-8-yl) 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-(4-allyloxy-3-methyl-5,6,7,8-tetrahydroquinolin-8-yl) ester Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(CCCC2=C1OCC=C)SC(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CN=C2C(CCCC2=C1OCC=C)SC(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O2S/c1-3-11-26-19-13(2)12-22-18-14(19)7-6-10-17(18)27-21(25)20-23-15-8-4-5-9-16(15)24-20/h3-5,8-9,12,17H,1,6-7,10-11H2,2H3,(H,23,24)