2-[(4-propan-2-yloxyphenyl)methyl]azepane-1-carbothioic S-acid

Systemtic Name: 2-[(4-propan-2-yloxyphenyl)methyl]azepane-1-carbothioic S-acid Openeye Name: 2-[(4-isopropoxyphenyl)methyl]azepane-1-carbothioic S-acid CAS Name: 2-[(4-propan-2-yloxyphenyl)methyl]-1-azepanecarbothioic S-acid IUPAC Name: 2-[(4-propan-2-yloxyphenyl)methyl]azepane-1-carbothioic S-acid Traditional Name: 2-(4-isopropoxybenzyl)azepane-1-carbothioic S-acid Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2CCCCCN2C(=O)S

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2CCCCCN2C(=O)S

InChI

InChI=1S/C17H25NO2S/c1-13(2)20-16-9-7-14(8-10-16)12-15-6-4-3-5-11-18(15)17(19)21/h7-10,13,15H,3-6,11-12H2,1-2H3,(H,19,21)