5-[(4-butan-2-ylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole

Systemtic Name: 5-[(4-butan-2-ylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole Openeye Name: 3-methyl-5-[(4-methylpiperazin-1-yl)-(4-sec-butylphenyl)methyl]isothiazole CAS Name: 5-[(4-butan-2-ylphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole IUPAC Name: 5-[(4-butan-2-ylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole Traditional Name: 3-methyl-5-[(4-methylpiperazino)-(4-sec-butylphenyl)methyl]isothiazole Formula: C20H29N3S MolecularWeight: 343.52936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C2=CC(=NS2)C)N3CCN(CC3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C2=CC(=NS2)C)N3CCN(CC3)C

InChI

InChI=1S/C20H29N3S/c1-5-15(2)17-6-8-18(9-7-17)20(19-14-16(3)21-24-19)23-12-10-22(4)11-13-23/h6-9,14-15,20H,5,10-13H2,1-4H3