2-butyl-6-isothiocyanato-5-(4-methylpiperidin-1-yl)-1,3-benzothiazole

Systemtic Name: 2-butyl-6-isothiocyanato-5-(4-methylpiperidin-1-yl)-1,3-benzothiazole Openeye Name: 2-butyl-6-isothiocyanato-5-(4-methyl-1-piperidyl)-1,3-benzothiazole CAS Name: 2-butyl-6-isothiocyanato-5-(4-methyl-1-piperidinyl)-1,3-benzothiazole IUPAC Name: 2-butyl-6-isothiocyanato-5-(4-methylpiperidin-1-yl)-1,3-benzothiazole Traditional Name: 2-butyl-6-isothiocyanato-5-(4-methylpiperidino)-1,3-benzothiazole Formula: C18H23N3S2 MolecularWeight: 345.52532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=C(C=C2S1)N=C=S)N3CCC(CC3)C

Isomeric SMILES

CCCCC1=NC2=CC(=C(C=C2S1)N=C=S)N3CCC(CC3)C

InChI

InChI=1S/C18H23N3S2/c1-3-4-5-18-20-15-10-16(21-8-6-13(2)7-9-21)14(19-12-22)11-17(15)23-18/h10-11,13H,3-9H2,1-2H3