(3-ethylsulfanylphenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3-ethylsulfanylphenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-ethylsulfanylphenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [3-(ethylthio)phenyl]-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-ethylsulfanylphenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [3-(ethylthio)phenyl]-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C21H23N3OS2/c1-3-26-17-6-4-5-16(14-17)20(25)23-9-11-24(12-10-23)21-22-18-8-7-15(2)13-19(18)27-21/h4-8,13-14H,3,9-12H2,1-2H3