1-[(1-ethyl-2-oxidanyl-4-oxidanylidene-quinolin-1-ium-3-ylidene)methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(1-ethyl-2-oxidanyl-4-oxidanylidene-quinolin-1-ium-3-ylidene)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(1-ethyl-2-hydroxy-4-oxo-quinolin-1-ium-3-ylidene)methyleneamino]thiourea CAS Name: 1-[(1-ethyl-2-hydroxy-4-oxo-3-quinolin-1-iumylidene)methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(1-ethyl-2-hydroxy-4-oxoquinolin-1-ium-3-ylidene)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(1-ethyl-2-hydroxy-4-keto-quinolin-1-ium-3-ylidene)methyleneamino]thiourea Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(=C=NNC(=S)NCC=C)C(=O)C2=CC=CC=C21)O

Isomeric SMILES

CC[N+]1=C(C(=C=NNC(=S)NCC=C)C(=O)C2=CC=CC=C21)O

InChI

InChI=1S/C16H16N4O2S/c1-3-9-17-16(23)19-18-10-12-14(21)11-7-5-6-8-13(11)20(4-2)15(12)22/h3,5-8H,1,4,9H2,2H3,(H2,17,19,23)/p+1