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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3

InChI

InChI=1S/C19H18BrNO2S/c1-13-4-6-14(7-5-13)19(22)23-17-9-8-15(20)12-16(17)18(24)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3