1-[[(1E)-1-(3-nitro-6-oxidanylidene-4-propan-2-yloxy-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[[(1E)-1-(3-nitro-6-oxidanylidene-4-propan-2-yloxy-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[[(1E)-1-(4-isopropoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(3-nitrophenyl)thiourea CAS Name: 1-[[(1E)-1-(3-nitro-6-oxo-4-propan-2-yloxy-1-cyclohexa-2,4-dienylidene)ethyl]amino]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[[(1E)-1-(3-nitro-6-oxo-4-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[[(1E)-1-(4-isopropoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(3-nitrophenyl)thiourea Formula: C18H19N5O6S MolecularWeight: 433.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=O)C(=C(C)NNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC(=O)/C(=C(\C)/NNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])/C=C1[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O6S/c1-10(2)29-17-9-16(24)14(8-15(17)23(27)28)11(3)20-21-18(30)19-12-5-4-6-13(7-12)22(25)26/h4-10,20H,1-3H3,(H2,19,21,30)/b14-11+