5-hexadecyl-3-(phenylmethyl)-1,3,5-thiadiazinane-2-thione

Systemtic Name: 5-hexadecyl-3-(phenylmethyl)-1,3,5-thiadiazinane-2-thione Openeye Name: 3-benzyl-5-hexadecyl-1,3,5-thiadiazinane-2-thione CAS Name: 5-hexadecyl-3-(phenylmethyl)-1,3,5-thiadiazinane-2-thione IUPAC Name: 3-benzyl-5-hexadecyl-1,3,5-thiadiazinane-2-thione Traditional Name: 3-benzyl-5-cetyl-1,3,5-thiadiazinane-2-thione Formula: C26H44N2S2 MolecularWeight: 448.77096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CN(C(=S)SC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CN(C(=S)SC1)CC2=CC=CC=C2

InChI

InChI=1S/C26H44N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-23-28(26(29)30-24-27)22-25-19-16-15-17-20-25/h15-17,19-20H,2-14,18,21-24H2,1H3