7-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-3-ethyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-3-ethyl-2-thioxo-1H-quinazolin-4-one Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)NC1=S

InChI

InChI=1S/C21H29N5O4S2/c1-2-26-20(28)17-8-7-16(15-18(17)22-21(26)31)19(27)23-11-13-25(14-12-23)32(29,30)24-9-5-3-4-6-10-24/h7-8,15H,2-6,9-14H2,1H3,(H,22,31)