2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-(4-benzylpiperidino)ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N

InChI

InChI=1S/C21H23N3OS2/c22-17-6-7-18-19(13-17)27-21(23-18)26-14-20(25)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14,22H2