2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one CAS Name: 2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3,6-dimethyl-4-quinazolinone IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3,6-dimethylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-3,6-dimethyl-quinazolin-4-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N4O3S/c1-16-4-9-20-19(14-16)22(29)25(2)23(24-20)31-15-21(28)27-12-10-26(11-13-27)17-5-7-18(30-3)8-6-17/h4-9,14H,10-13,15H2,1-3H3