S-[(13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate

Systemtic Name: S-[(13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate Openeye Name: S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] ester IUPAC Name: S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[(17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)SC(=O)N(C)C

Isomeric SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)SC(=O)N(C)C

InChI

InChI=1S/C21H27NO2S/c1-21-11-10-16-15-7-5-14(25-20(24)22(2)3)12-13(15)4-6-17(16)18(21)8-9-19(21)23/h5,7,12,16-18H,4,6,8-11H2,1-3H3