7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one

Systemtic Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Openeye Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-butyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one CAS Name: 7-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one IUPAC Name: 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Traditional Name: 7-[4-[4-(2,3-dimethylphenyl)piperazino]-4-keto-butyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5)C

InChI

InChI=1S/C25H28N4O4S/c1-16-5-3-6-20(17(16)2)27-9-11-28(12-10-27)23(30)7-4-8-29-24(31)18-13-21-22(33-15-32-21)14-19(18)26-25(29)34/h3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,26,34)