azepan-1-yl-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]-4-piperidyl]methanone Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H31N3O2S2/c31-25(30-17-13-22(14-18-30)26(32)29-15-5-1-2-6-16-29)21-11-9-20(10-12-21)19-33-27-28-23-7-3-4-8-24(23)34-27/h3-4,7-12,22H,1-2,5-6,13-19H2