N-(1,3-benzodioxol-5-ylmethyl)-8-(4-tert-butylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-tert-butylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-tert-butylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-[(4-tert-butylphenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-tert-butylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-(4-tert-butylbenzoyl)-N-piperonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H33N3O4S/c1-26(2,3)20-7-5-19(6-8-20)25(32)30-12-10-27(11-13-30)29-21(16-35-27)24(31)28-15-18-4-9-22-23(14-18)34-17-33-22/h4-9,14,21,29H,10-13,15-17H2,1-3H3,(H,28,31)