N-(3-chlorophenyl)-2-[(E)-octadec-1-enyl]imino-1,3-thiazolidine-3-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-2-[(E)-octadec-1-enyl]imino-1,3-thiazolidine-3-carbothioamide Openeye Name: N-(3-chlorophenyl)-2-[(E)-octadec-1-enyl]imino-thiazolidine-3-carbothioamide CAS Name: N-(3-chlorophenyl)-2-[(E)-octadec-1-enyl]imino-3-thiazolidinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-2-[(E)-octadec-1-enyl]imino-1,3-thiazolidine-3-carbothioamide Traditional Name: N-(3-chlorophenyl)-2-[(E)-octadec-1-enyl]imino-thiazolidine-3-carbothioamide Formula: C28H44ClN3S2 MolecularWeight: 522.25206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CN=C1N(CCS1)C(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/N=C1N(CCS1)C(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C28H44ClN3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-28-32(22-23-34-28)27(33)31-26-20-18-19-25(29)24-26/h17-21,24H,2-16,22-23H2,1H3,(H,31,33)/b21-17+,30-28?