7-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-o-anisyl-2-thioxo-1H-quinazolin-4-one Formula: C27H25ClN4O3S MolecularWeight: 521.0304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl)NC2=S

InChI

InChI=1S/C27H25ClN4O3S/c1-35-24-8-3-2-5-19(24)17-32-26(34)22-10-9-18(15-23(22)29-27(32)36)25(33)31-13-11-30(12-14-31)21-7-4-6-20(28)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,29,36)