(5R)-5-cyclohexyl-3-(phenylmethyl)-2-sulfanylidene-5,6-dihydro-1H-benzo[h]quinazolin-4-one

Systemtic Name: (5R)-5-cyclohexyl-3-(phenylmethyl)-2-sulfanylidene-5,6-dihydro-1H-benzo[h]quinazolin-4-one Openeye Name: (5R)-3-benzyl-5-cyclohexyl-2-thioxo-5,6-dihydro-1H-benzo[h]quinazolin-4-one CAS Name: (5R)-5-cyclohexyl-3-(phenylmethyl)-2-sulfanylidene-5,6-dihydro-1H-benzo[h]quinazolin-4-one IUPAC Name: (5R)-3-benzyl-5-cyclohexyl-2-sulfanylidene-5,6-dihydro-1H-benzo[h]quinazolin-4-one Traditional Name: (5R)-3-benzyl-5-cyclohexyl-2-thioxo-5,6-dihydro-1H-benzo[h]quinazolin-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC3=CC=CC=C3C4=C2C(=O)N(C(=S)N4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[C@H]2CC3=CC=CC=C3C4=C2C(=O)N(C(=S)N4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N2OS/c28-24-22-21(18-11-5-2-6-12-18)15-19-13-7-8-14-20(19)23(22)26-25(29)27(24)16-17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18,21H,2,5-6,11-12,15-16H2,(H,26,29)/t21-/m1/s1