3-(cyclohexylmethyl)-2-prop-2-enylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one

Systemtic Name: 3-(cyclohexylmethyl)-2-prop-2-enylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Openeye Name: 2-allylsulfanyl-3-(cyclohexylmethyl)spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one CAS Name: 3-(cyclohexylmethyl)-2-(prop-2-enylthio)-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]one IUPAC Name: 3-(cyclohexylmethyl)-2-prop-2-enylsulfanylspiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Traditional Name: 2-(allylthio)-3-(cyclohexylmethyl)spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(CC3(CCCC3)C4=CC=CC=C42)C(=O)N1CC5CCCCC5

Isomeric SMILES

C=CCSC1=NC2=C(CC3(CCCC3)C4=CC=CC=C42)C(=O)N1CC5CCCCC5

InChI

InChI=1S/C26H32N2OS/c1-2-16-30-25-27-23-20-12-6-7-13-22(20)26(14-8-9-15-26)17-21(23)24(29)28(25)18-19-10-4-3-5-11-19/h2,6-7,12-13,19H,1,3-5,8-11,14-18H2