N-cyclohexyl-2-(4-methylphenyl)-3-methylsulfanyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

Systemtic Name: N-cyclohexyl-2-(4-methylphenyl)-3-methylsulfanyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide Openeye Name: N-cyclohexyl-3-methylsulfanyl-2-(p-tolyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide CAS Name: N-cyclohexyl-2-(4-methylphenyl)-3-(methylthio)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide IUPAC Name: N-cyclohexyl-2-(4-methylphenyl)-3-methylsulfanyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide Traditional Name: N-cyclohexyl-3-(methylthio)-2-(p-tolyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3(CCN(CC3)C(=O)NC4CCCCC4)N=C2SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3(CCN(CC3)C(=O)NC4CCCCC4)N=C2SC

InChI

InChI=1S/C22H30N4OS/c1-16-8-10-17(11-9-16)19-20(28-2)25-22(24-19)12-14-26(15-13-22)21(27)23-18-6-4-3-5-7-18/h8-11,18H,3-7,12-15H2,1-2H3,(H,23,27)