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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S/c20-14-4-2-13(3-5-14)12-17-18-15(22)16-6-1-7-19-8-10-21-11-9-19/h2-5,12,17H,1,6-11H2,(H2,16,18,22)/p+1