1-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C22H37N4O2S+ MolecularWeight: 421.61978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNNC(=S)NCC[NH+]2CCOCC2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNNC(=S)NCC[NH+]2CCOCC2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C22H36N4O2S/c1-21(2,3)17-13-16(14-18(19(17)27)22(4,5)6)15-24-25-20(29)23-7-8-26-9-11-28-12-10-26/h13-15,24H,7-12H2,1-6H3,(H2,23,25,29)/p+1