4-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-oxo-3-[4-(2-thienylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-[4-(2-thenyl)piperazino]propyl]-1,4-benzoxazin-3-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C20H23N3O3S/c24-19(22-11-9-21(10-12-22)14-16-4-3-13-27-16)7-8-23-17-5-1-2-6-18(17)26-15-20(23)25/h1-6,13H,7-12,14-15H2