5-(2-chlorophenyl)-7-hexadecyl-3,4-dihydrothieno[2,3-e][1,4]diazepine-2-thione

Systemtic Name: 5-(2-chlorophenyl)-7-hexadecyl-3,4-dihydrothieno[2,3-e][1,4]diazepine-2-thione Openeye Name: 5-(2-chlorophenyl)-7-hexadecyl-3,4-dihydrothieno[2,3-e][1,4]diazepine-2-thione CAS Name: 5-(2-chlorophenyl)-7-hexadecyl-3,4-dihydrothieno[2,3-e][1,4]diazepine-2-thione IUPAC Name: 5-(2-chlorophenyl)-7-hexadecyl-3,4-dihydrothieno[2,3-e][1,4]diazepine-2-thione Traditional Name: 7-cetyl-5-(2-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepine-2-thione Formula: C29H41ClN2S2 MolecularWeight: 517.23224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC2=C(NCC(=S)N=C2S1)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC2=C(NCC(=S)N=C2S1)C3=CC=CC=C3Cl

InChI

InChI=1S/C29H41ClN2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21-25-28(24-19-16-17-20-26(24)30)31-22-27(33)32-29(25)34-23/h16-17,19-21,31H,2-15,18,22H2,1H3