N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-sulfanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanethioamide

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-sulfanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanethioamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-thioxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]thioacetamide CAS Name: N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-sulfanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanethioamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-sulfanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanethioamide Traditional Name: N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-thioxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]thioacetamide Formula: C22H25NO3S3 MolecularWeight: 447.6338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=S)C=C13)SC)OC)OC)OC

Isomeric SMILES

CC(=S)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=S)C=C13)SC)OC)OC)OC

InChI

InChI=1S/C22H25NO3S3/c1-12(27)23-16-8-6-13-10-17(24-2)21(25-3)22(26-4)20(13)14-7-9-19(29-5)18(28)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,27)/t16-/m0/s1