6-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-methyl-3-[4-(1-piperidylsulfonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-methyl-3-[4-(1-piperidinylsulfonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-methyl-3-(4-piperidinosulfonylphenyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=S)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H21N3O3S2/c1-14-5-10-18-17(13-14)19(24)23(20(27)21-18)15-6-8-16(9-7-15)28(25,26)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,27)