4-isothiocyanato-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione

Systemtic Name: 4-isothiocyanato-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione Openeye Name: 4-isothiocyanato-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione CAS Name: 4-isothiocyanato-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione IUPAC Name: 4-isothiocyanato-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione Traditional Name: 4-isothiocyanato-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-quinone Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)C=CC4=C(C(=O)C=CC34C)N=C=S

Isomeric SMILES

CC12CCC3C(C1CCC2=O)C=CC4=C(C(=O)C=CC34C)N=C=S

InChI

InChI=1S/C20H21NO2S/c1-19-10-8-16(22)18(21-11-24)15(19)4-3-12-13-5-6-17(23)20(13,2)9-7-14(12)19/h3-4,8,10,12-14H,5-7,9H2,1-2H3