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

Systemtic Name: 1-(4-nitrophenyl)carbonyl-N-(phenylmethyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-benzyl-1-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(4-nitrophenyl)-oxomethyl]-N-(phenylmethyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-benzyl-1-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-benzyl-1-(4-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=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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