3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-methoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-methoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-methoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-6-methoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-methoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzhydrylpiperazino)propyl]-6-methoxy-2-thioxo-1H-quinazolin-4-one Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=S)N(C2=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=S)N(C2=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2S/c1-35-24-13-14-26-25(21-24)28(34)33(29(36)30-26)16-8-15-31-17-19-32(20-18-31)27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-7,9-14,21,27H,8,15-20H2,1H3,(H,30,36)