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

Systemtic Name: N-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzamide Openeye Name: N-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzamide CAS Name: N-(4-methoxyphenyl)-4-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)benzamide Traditional Name: N-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)benzamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H26N4O3S/c1-27-19-8-6-17(7-9-19)23-20(26)16-2-4-18(5-3-16)24-21(29)22-10-11-25-12-14-28-15-13-25/h2-9H,10-15H2,1H3,(H,23,26)(H2,22,24,29)/p+1