4-azanyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-heptanethioate

Systemtic Name: 4-azanyl-3-(3,4-dichlorophenyl)-5,5-dimethyl-heptanethioate Openeye Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethyl-heptanethioate CAS Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethylheptanethioate IUPAC Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethylheptanethioate Traditional Name: 4-amino-3-(3,4-dichlorophenyl)-5,5-dimethyl-thioenanthate Formula: C15H20Cl2NOS- MolecularWeight: 333.2964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C(CC(=S)[O-])C1=CC(=C(C=C1)Cl)Cl)N

Isomeric SMILES

CCC(C)(C)C(C(CC(=S)[O-])C1=CC(=C(C=C1)Cl)Cl)N

InChI

InChI=1S/C15H21Cl2NOS/c1-4-15(2,3)14(18)10(8-13(19)20)9-5-6-11(16)12(17)7-9/h5-7,10,14H,4,8,18H2,1-3H3,(H,19,20)/p-1