1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(2-oxidanylidenechromen-3-yl)ethylideneamino]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(2-oxidanylidenechromen-3-yl)ethylideneamino]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(Z)-1-(2-oxo-1-benzopyran-3-yl)ethylideneamino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(2-ketochromen-3-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C19H24N4O3S/c1-14(16-13-15-5-2-3-6-17(15)26-18(16)24)21-22-19(27)20-7-4-8-23-9-11-25-12-10-23/h2-3,5-6,13H,4,7-12H2,1H3,(H2,20,22,27)/p+1/b21-14-