3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-methoxy-7-methyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-methoxy-7-methyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-methoxy-7-methyl-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-6-methoxy-7-methyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-methoxy-7-methyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzhydrylpiperazino)propyl]-6-methoxy-7-methyl-2-thioxo-1H-quinazolin-4-one Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=S)N(C2=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=S)N(C2=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C30H34N4O2S/c1-22-20-26-25(21-27(22)36-2)29(35)34(30(37)31-26)15-9-14-32-16-18-33(19-17-32)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,20-21,28H,9,14-19H2,1-2H3,(H,31,37)