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

Systemtic Name: 3-(cyclohexylmethyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(cyclohexylmethyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(cyclohexylmethyl)-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(cyclohexylmethyl)-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(cyclohexylmethyl)-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H36N2OS MolecularWeight: 484.69534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC6=CC=CC=C6

InChI

InChI=1S/C31H36N2OS/c34-29-27-28(26-16-8-7-15-25(26)21-31(27)18-9-10-19-31)32-30(33(29)22-24-13-5-2-6-14-24)35-20-17-23-11-3-1-4-12-23/h1,3-4,7-8,11-12,15-16,24H,2,5-6,9-10,13-14,17-22H2