(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2-methylbenzoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2-methylbenzoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H18BrNO2S MolecularWeight: 404.32072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3

InChI

InChI=1S/C19H18BrNO2S/c1-13-6-2-3-7-15(13)19(22)23-17-9-8-14(20)12-16(17)18(24)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3