3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-[(E)-styryl]sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-[(E)-styryl]sulfonylpiperazino]methyl]-1,3-benzoxazole-2-thione Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-28(25,15-10-17-6-2-1-3-7-17)22-13-11-21(12-14-22)16-23-18-8-4-5-9-19(18)26-20(23)27/h1-10,15H,11-14,16H2/b15-10+