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

Systemtic Name: 1-(3-nitrophenyl)carbonyl-N-(phenylmethyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-benzyl-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(3-nitrophenyl)-oxomethyl]-N-(phenylmethyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-benzyl-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-benzyl-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S/c27-20(18-7-4-8-19(15-18)26(29)30)25-13-14-31-22(25)9-11-24(12-10-22)21(28)23-16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,23,28)