(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylcarbamothioic S-acid

Systemtic Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylcarbamothioic S-acid Openeye Name: (7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylcarbamothioic S-acid CAS Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylcarbamothioic S-acid IUPAC Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylcarbamothioic S-acid Traditional Name: (7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylthiocarbamic S-acid Formula: C21H31NOS MolecularWeight: 345.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)S)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)S)C

InChI

InChI=1S/C21H31NOS/c1-14(2)15-6-8-17-16(12-15)7-9-18-20(3,13-22-19(23)24)10-5-11-21(17,18)4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3,(H2,22,23,24)