1-[(4-methoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(p-anisylthiocarbamoylamino)thiourea Formula: C16H26N5O2S2+ MolecularWeight: 384.53994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C16H25N5O2S2/c1-22-14-4-2-13(3-5-14)12-18-16(25)20-19-15(24)17-6-7-21-8-10-23-11-9-21/h2-5H,6-12H2,1H3,(H2,17,19,24)(H2,18,20,25)/p+1