1-(4-ethoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea CAS Name: 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-phenetylthiocarbamoylamino)thiourea Formula: C17H28N5O2S2+ MolecularWeight: 398.56652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H27N5O2S2/c1-2-24-15-6-4-14(5-7-15)19-17(26)21-20-16(25)18-8-3-9-22-10-12-23-13-11-22/h4-7H,2-3,8-13H2,1H3,(H2,18,20,25)(H2,19,21,26)/p+1