4-tert-butyl-2-(2-piperidin-1-ylethyl)benzenecarbothioic S-acid

Systemtic Name: 4-tert-butyl-2-(2-piperidin-1-ylethyl)benzenecarbothioic S-acid Openeye Name: 4-tert-butyl-2-[2-(1-piperidyl)ethyl]benzenecarbothioic S-acid CAS Name: 4-tert-butyl-2-[2-(1-piperidinyl)ethyl]benzenecarbothioic S-acid IUPAC Name: 4-tert-butyl-2-(2-piperidin-1-ylethyl)benzenecarbothioic S-acid Traditional Name: 4-tert-butyl-2-(2-piperidinoethyl)thiobenzoic acid Formula: C18H27NOS MolecularWeight: 305.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(=O)S)CCN2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(=O)S)CCN2CCCCC2

InChI

InChI=1S/C18H27NOS/c1-18(2,3)15-7-8-16(17(20)21)14(13-15)9-12-19-10-5-4-6-11-19/h7-8,13H,4-6,9-12H2,1-3H3,(H,20,21)