5-morpholin-4-ylsulfonyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-morpholin-4-ylsulfonyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 5-(4-morpholinylsulfonyl)-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-morpholin-4-ylsulfonyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-[(E)-cinnamyl]piperazino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C25H30N4O4S2 MolecularWeight: 514.6601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CN3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)OC3=S

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CN3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)OC3=S

InChI

InChI=1S/C25H30N4O4S2/c30-35(31,28-15-17-32-18-16-28)22-8-9-24-23(19-22)29(25(34)33-24)20-27-13-11-26(12-14-27)10-4-7-21-5-2-1-3-6-21/h1-9,19H,10-18,20H2/b7-4+