2-(aminomethyl)-3-hexyl-4-(2-pyridin-2-ylethyl)benzenecarbothioic S-acid

Systemtic Name: 2-(aminomethyl)-3-hexyl-4-(2-pyridin-2-ylethyl)benzenecarbothioic S-acid Openeye Name: 2-(aminomethyl)-3-hexyl-4-[2-(2-pyridyl)ethyl]benzenecarbothioic S-acid CAS Name: 2-(aminomethyl)-3-hexyl-4-[2-(2-pyridinyl)ethyl]benzenecarbothioic S-acid IUPAC Name: 2-(aminomethyl)-3-hexyl-4-(2-pyridin-2-ylethyl)benzenecarbothioic S-acid Traditional Name: 2-(aminomethyl)-3-hexyl-4-[2-(2-pyridyl)ethyl]thiobenzoic acid Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1CN)C(=O)S)CCC2=CC=CC=N2

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1CN)C(=O)S)CCC2=CC=CC=N2

InChI

InChI=1S/C21H28N2OS/c1-2-3-4-5-9-18-16(10-12-17-8-6-7-14-23-17)11-13-19(21(24)25)20(18)15-22/h6-8,11,13-14H,2-5,9-10,12,15,22H2,1H3,(H,24,25)