1-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCCC[NH+]2CCOCC2)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNNC(=S)NCCC[NH+]2CCOCC2)C=C(C1=O)OC

InChI

InChI=1S/C17H26N4O4S/c1-23-14-10-13(11-15(24-2)16(14)22)12-19-20-17(26)18-4-3-5-21-6-8-25-9-7-21/h10-12,19H,3-9H2,1-2H3,(H2,18,20,26)/p+1