azepan-1-yl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]-4-piperidyl]methanone Formula: C20H27N3OS2 MolecularWeight: 389.57788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C20H27N3OS2/c24-19(22-11-5-1-2-6-12-22)16-9-13-21(14-10-16)15-23-17-7-3-4-8-18(17)26-20(23)25/h3-4,7-8,16H,1-2,5-6,9-15H2