2-[(2-methoxy-5-nitro-phenyl)methyl]-3-oxidanylidene-N-(oxolan-2-ylmethyl)-4-oxa-2,8-diazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methyl]-3-oxidanylidene-N-(oxolan-2-ylmethyl)-4-oxa-2,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methyl]-3-oxo-N-(tetrahydrofuran-2-ylmethyl)-4-oxa-2,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: 2-[(2-methoxy-5-nitrophenyl)methyl]-3-oxo-N-(2-oxolanylmethyl)-4-oxa-2,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-4-oxa-2,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: 3-keto-2-(2-methoxy-5-nitro-benzyl)-N-(tetrahydrofurfuryl)-4-oxa-2,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CC3(CCN(CC3)C(=S)NCC4CCCO4)OC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CC3(CCN(CC3)C(=S)NCC4CCCO4)OC2=O

InChI

InChI=1S/C21H28N4O6S/c1-29-18-5-4-16(25(27)28)11-15(18)13-24-14-21(31-20(24)26)6-8-23(9-7-21)19(32)22-12-17-3-2-10-30-17/h4-5,11,17H,2-3,6-10,12-14H2,1H3,(H,22,32)