1-[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(4-isopropoxy-3-methoxy-benzoyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(4-isopropoxy-3-methoxy-benzoyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NNC(=S)NCC[NH+]2CCOCC2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NNC(=S)NCC[NH+]2CCOCC2)OC

InChI

InChI=1S/C18H28N4O4S/c1-13(2)26-15-5-4-14(12-16(15)24-3)17(23)20-21-18(27)19-6-7-22-8-10-25-11-9-22/h4-5,12-13H,6-11H2,1-3H3,(H,20,23)(H2,19,21,27)/p+1