6-chloranyl-8-[4-(1-sulfanylethyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-8-[4-(1-sulfanylethyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-8-[4-(1-sulfanylethyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-8-[4-(1-mercaptoethyl)-1-piperazinyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-8-[4-(1-sulfanylethyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-8-[4-(1-mercaptoethyl)piperazino]-4H-1,4-benzoxazin-3-one Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)C2=C3C(=CC(=C2)Cl)NC(=O)CO3)S

Isomeric SMILES

CC(N1CCN(CC1)C2=C3C(=CC(=C2)Cl)NC(=O)CO3)S

InChI

InChI=1S/C14H18ClN3O2S/c1-9(21)17-2-4-18(5-3-17)12-7-10(15)6-11-14(12)20-8-13(19)16-11/h6-7,9,21H,2-5,8H2,1H3,(H,16,19)