(4-hexadecylpiperidin-1-yl)-(5-methylsulfanylbenzotriazol-1-yl)methanone

Systemtic Name: (4-hexadecylpiperidin-1-yl)-(5-methylsulfanylbenzotriazol-1-yl)methanone Openeye Name: (4-hexadecyl-1-piperidyl)-(5-methylsulfanylbenzotriazol-1-yl)methanone CAS Name: (4-hexadecyl-1-piperidinyl)-[5-(methylthio)-1-benzotriazolyl]methanone IUPAC Name: (4-hexadecylpiperidin-1-yl)-(5-methylsulfanylbenzotriazol-1-yl)methanone Traditional Name: (4-cetylpiperidino)-[5-(methylthio)benzotriazol-1-yl]methanone Formula: C29H48N4OS MolecularWeight: 500.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CCN(CC1)C(=O)N2C3=C(C=C(C=C3)SC)N=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CCN(CC1)C(=O)N2C3=C(C=C(C=C3)SC)N=N2

InChI

InChI=1S/C29H48N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20-22-32(23-21-25)29(34)33-28-19-18-26(35-2)24-27(28)30-31-33/h18-19,24-25H,3-17,20-23H2,1-2H3