7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C21H22N4O4S3/c1-3-8-25-20(27)16-6-5-15(13-17(16)22-21(25)30)19(26)23-9-11-24(12-10-23)32(28,29)18-7-4-14(2)31-18/h3-7,13H,1,8-12H2,2H3,(H,22,30)