1-[1-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[1-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[1-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[1-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[1-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[1-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C15H22BrN4O2S+ MolecularWeight: 402.32978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=C(C=CC1=O)Br)NNC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CC(=C1C=C(C=CC1=O)Br)NNC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C15H21BrN4O2S/c1-11(13-10-12(16)2-3-14(13)21)18-19-15(23)17-4-5-20-6-8-22-9-7-20/h2-3,10,18H,4-9H2,1H3,(H2,17,19,23)/p+1