3-(azepan-1-ylcarbonyl)-8-chloranyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-8-chloranyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one Openeye Name: 3-(azepane-1-carbonyl)-8-chloro-1-thioxo-4H-thiazolo[3,4-a]quinazolin-5-one CAS Name: 3-[1-azepanyl(oxo)methyl]-8-chloro-1-sulfanylidene-4H-thiazolo[3,4-a]quinazolin-5-one IUPAC Name: 3-(azepane-1-carbonyl)-8-chloro-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one Traditional Name: 3-(azepane-1-carbonyl)-8-chloro-1-thioxo-4H-thiazolo[3,4-a]quinazolin-5-one Formula: C17H16ClN3O2S2 MolecularWeight: 393.91084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)Cl

InChI

InChI=1S/C17H16ClN3O2S2/c18-10-5-6-11-12(9-10)21-14(19-15(11)22)13(25-17(21)24)16(23)20-7-3-1-2-4-8-20/h5-6,9H,1-4,7-8H2,(H,19,22)