3-[6-oxidanylidene-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-oxidanylidene-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(4-benzyl-1,4-diazepan-1-yl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(4-benzyl-1,4-diazepan-1-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-(4-benzyl-1,4-diazepan-1-yl)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c31-24(29-16-9-15-28(18-19-29)20-21-10-3-1-4-11-21)14-5-2-8-17-30-25(32)22-12-6-7-13-23(22)27-26(30)33/h1,3-4,6-7,10-13H,2,5,8-9,14-20H2,(H,27,33)