6-[2-[4-(phenylmethyl)piperazin-1-yl]-2-sulfanylidene-ethyl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[2-[4-(phenylmethyl)piperazin-1-yl]-2-sulfanylidene-ethyl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[2-(4-benzylpiperazin-1-yl)-2-thioxo-ethyl]-3H-1,3-benzoxazol-2-one CAS Name: 6-[2-[4-(phenylmethyl)-1-piperazinyl]-2-sulfanylideneethyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[2-(4-benzylpiperazin-1-yl)-2-sulfanylideneethyl]-3H-1,3-benzoxazol-2-one Traditional Name: 6-[2-(4-benzylpiperazino)-2-thioxo-ethyl]-3H-1,3-benzoxazol-2-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C20H21N3O2S/c24-20-21-17-7-6-16(12-18(17)25-20)13-19(26)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,24)