[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-[3-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[3-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-[3-[(methylthio)methyl]phenyl]methanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c1-26-15-16-5-4-6-17(13-16)21(25)24-11-9-23(10-12-24)14-20-22-18-7-2-3-8-19(18)27-20/h2-8,13H,9-12,14-15H2,1H3