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

Systemtic Name: azepan-1-yl-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanone Openeye Name: azepan-1-yl-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanone CAS Name: 1-azepanyl-[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanone Traditional Name: azepan-1-yl-[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]methanone Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c24-20(23-13-5-1-2-6-14-23)17-11-9-16(10-12-17)15-25-21-22-18-7-3-4-8-19(18)26-21/h3-4,7-12H,1-2,5-6,13-15H2