N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(4-methyl-2-oxo-chromen-7-yl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(2-keto-4-methyl-chromen-7-yl)piperazin-4-ium-1-carbothioamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c1-18-16-23(28)29-22-17-20(9-10-21(18)22)25-24(30)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15H2,1H3,(H,25,30)/p+1/b8-5+