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

Systemtic Name: 1-[[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[[4-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H30N5O2S+ MolecularWeight: 380.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O2S/c1-3-23(4-2)16-6-5-15(17(24)13-16)14-20-21-18(26)19-7-8-22-9-11-25-12-10-22/h5-6,13-14,20H,3-4,7-12H2,1-2H3,(H2,19,21,26)/p+1