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

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S/c1-22-13-9-12(10-14(23-2)15(13)21)11-18-19-16(25)17-3-4-20-5-7-24-8-6-20/h9-11,18H,3-8H2,1-2H3,(H2,17,19,25)/p+1