N-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzamide Openeye Name: N-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzamide Traditional Name: 4-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)-N-p-phenetyl-benzamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C22H28N4O3S/c1-2-29-20-9-7-18(8-10-20)24-21(27)17-3-5-19(6-4-17)25-22(30)23-11-12-26-13-15-28-16-14-26/h3-10H,2,11-16H2,1H3,(H,24,27)(H2,23,25,30)/p+1