N-(2,3-dimethylphenyl)-2-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-(4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazino]acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4)C

InChI

InChI=1S/C23H25N5O3S/c1-14-4-3-5-18(15(14)2)24-20(29)13-27-8-10-28(11-9-27)22(31)16-6-7-17-19(12-16)25-23(32)26-21(17)30/h3-7,12H,8-11,13H2,1-2H3,(H,24,29)(H2,25,26,30,32)