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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S2/c1-26-18-13-15(27-2)7-8-16(18)21(25)24-11-9-23(10-12-24)14-20-22-17-5-3-4-6-19(17)28-20/h3-8,13H,9-12,14H2,1-2H3