1-[4-(6-chloranyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethanethiol

Systemtic Name: 1-[4-(6-chloranyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethanethiol Openeye Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethanethiol CAS Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-1-piperazinyl]ethanethiol IUPAC Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazin-1-yl]ethanethiol Traditional Name: 1-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazino]ethanethiol Formula: C14H20ClN3OS MolecularWeight: 313.8461

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)C2=C3C(=CC(=C2)Cl)NCCO3)S

Isomeric SMILES

CC(N1CCN(CC1)C2=C3C(=CC(=C2)Cl)NCCO3)S

InChI

InChI=1S/C14H20ClN3OS/c1-10(20)17-3-5-18(6-4-17)13-9-11(15)8-12-14(13)19-7-2-16-12/h8-10,16,20H,2-7H2,1H3