1-[(4-ethoxy-3-methoxy-phenyl)carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(4-ethoxy-3-methoxy-benzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[(4-ethoxy-3-methoxyphenyl)-oxomethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(4-ethoxy-3-methoxy-benzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCCC[NH+]2CCOCC2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCCC[NH+]2CCOCC2)OC

InChI

InChI=1S/C18H28N4O4S/c1-3-26-15-6-5-14(13-16(15)24-2)17(23)20-21-18(27)19-7-4-8-22-9-11-25-12-10-22/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,23)(H2,19,21,27)/p+1