3-[3-(carbamothioylamino)phenyl]carbonyl-N-naphthalen-1-yl-3,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: 3-[3-(carbamothioylamino)phenyl]carbonyl-N-naphthalen-1-yl-3,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 3-[3-(carbamothioylamino)benzoyl]-N-(1-naphthyl)-3,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 3-[[3-(carbamothioylamino)phenyl]-oxomethyl]-N-(1-naphthalenyl)-3,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 3-[3-(carbamothioylamino)benzoyl]-N-naphthalen-1-yl-3,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(1-naphthyl)-3-(3-thioureidobenzoyl)-3,8-diazaspiro[4.5]decane-8-carboxamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(C2)C(=O)C3=CC(=CC=C3)NC(=S)N)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC12CCN(C2)C(=O)C3=CC(=CC=C3)NC(=S)N)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N5O2S/c28-25(35)29-21-8-3-7-20(17-21)24(33)32-16-13-27(18-32)11-14-31(15-12-27)26(34)30-23-10-4-6-19-5-1-2-9-22(19)23/h1-10,17H,11-16,18H2,(H,30,34)(H3,28,29,35)