methyl 3-[[8-[(3,5-dimethylphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[8-[(3,5-dimethylphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]-5-nitro-benzoate Openeye Name: methyl 3-[8-[(3,5-dimethylphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decane-3-carbonyl]-5-nitro-benzoate CAS Name: 3-[[8-[(3,5-dimethylanilino)-sulfanylidenemethyl]-3,8-diazaspiro[4.5]decan-3-yl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[8-[(3,5-dimethylphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decane-3-carbonyl]-5-nitrobenzoate Traditional Name: 3-[8-[(3,5-dimethylphenyl)thiocarbamoyl]-3,8-diazaspiro[4.5]decane-3-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O5S/c1-17-10-18(2)12-21(11-17)27-25(36)28-7-4-26(5-8-28)6-9-29(16-26)23(31)19-13-20(24(32)35-3)15-22(14-19)30(33)34/h10-15H,4-9,16H2,1-3H3,(H,27,36)