(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3-methylbenzoate

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3-methylbenzoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H20BrNO2S MolecularWeight: 418.3473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCCC3

InChI

InChI=1S/C20H20BrNO2S/c1-14-6-5-7-15(12-14)20(23)24-18-9-8-16(21)13-17(18)19(25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3