N-(3,5-dimethylphenyl)-3-(4-methoxy-5-nitro-thiophen-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-(4-methoxy-5-nitro-thiophen-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-3-(4-methoxy-5-nitro-thiophene-3-carbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-3-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-3-(4-methoxy-5-nitrothiophene-3-carbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-3-(4-methoxy-5-nitro-thiophene-3-carbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4=CSC(=C4OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4=CSC(=C4OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H28N4O4S2/c1-15-10-16(2)12-17(11-15)24-22(32)25-7-4-23(5-8-25)6-9-26(14-23)20(28)18-13-33-21(27(29)30)19(18)31-3/h10-13H,4-9,14H2,1-3H3,(H,24,32)