1-(3-chlorophenyl)carbonyl-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: 1-(3-chlorophenyl)carbonyl-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(3-chlorobenzoyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(3-chlorophenyl)-oxomethyl]-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(3-chlorobenzoyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(3-chlorobenzoyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4S/c22-16-3-1-2-15(14-16)19(27)25-12-13-31-21(25)8-10-24(11-9-21)20(28)23-17-4-6-18(7-5-17)26(29)30/h1-7,14H,8-13H2,(H,23,28)