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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazino]acetamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S)C

InChI

InChI=1S/C25H29N5O3S/c1-17-6-5-9-20(18(17)2)26-22(31)16-28-12-14-29(15-13-28)23(32)10-11-30-24(33)19-7-3-4-8-21(19)27-25(30)34/h3-9H,10-16H2,1-2H3,(H,26,31)(H,27,34)