2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]methyl]-1H-quinazolin-4-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21ClN4O2S/c22-15-4-3-5-16(12-15)25-8-10-26(11-9-25)20(27)14-29-13-19-23-18-7-2-1-6-17(18)21(28)24-19/h1-7,12H,8-11,13-14H2,(H,23,24,28)