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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC=C2C=CC(=O)C=C2

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC=C2C=CC(=O)C=C2

InChI

InChI=1S/C14H20N4O2S/c19-13-3-1-12(2-4-13)11-16-17-14(21)15-5-6-18-7-9-20-10-8-18/h1-4,11,16H,5-10H2,(H2,15,17,21)/p+1