N,N-diethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-diethyl-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-diethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C25H33N4O3S2+ MolecularWeight: 501.68452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3S2/c1-3-28(4-2)34(30,31)22-12-13-24-23(19-22)29(25(33)32-24)20-27-17-15-26(16-18-27)14-8-11-21-9-6-5-7-10-21/h5-13,19H,3-4,14-18,20H2,1-2H3/p+1/b11-8+