7-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H26N4O3S/c26-18-16-6-5-15(13-17(16)22-21(29)23-18)20(28)25-11-7-14(8-12-25)19(27)24-9-3-1-2-4-10-24/h5-6,13-14H,1-4,7-12H2,(H2,22,23,26,29)