2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine

Systemtic Name: 2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine Openeye Name: 2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine CAS Name: 2-(hexadecylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine IUPAC Name: 2-hexadecylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine Traditional Name: 2-(cetylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine Formula: C21H42N2S MolecularWeight: 354.63658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NCCCCN1

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NCCCCN1

InChI

InChI=1S/C21H42N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21-22-18-15-16-19-23-21/h2-20H2,1H3,(H,22,23)