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

Systemtic Name: 1-[[4-(3-methylbutoxy)phenyl]carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(4-isopentyloxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[4-(3-methylbutoxy)benzoyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(4-isoamoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3S/c1-16(2)8-13-27-18-6-4-17(5-7-18)19(25)22-23-20(28)21-9-3-10-24-11-14-26-15-12-24/h4-7,16H,3,8-15H2,1-2H3,(H,22,25)(H2,21,23,28)/p+1