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

Systemtic Name: 1-naphthalen-1-yl-3-[[(1E)-1-(3-nitro-6-oxidanylidene-4-propan-2-yloxy-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]thiourea Openeye Name: 1-[[(1E)-1-(4-isopropoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(1-naphthyl)thiourea CAS Name: 1-(1-naphthalenyl)-3-[[(1E)-1-(3-nitro-6-oxo-4-propan-2-yloxy-1-cyclohexa-2,4-dienylidene)ethyl]amino]thiourea IUPAC Name: 1-naphthalen-1-yl-3-[[(1E)-1-(3-nitro-6-oxo-4-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)ethyl]amino]thiourea Traditional Name: 1-[[(1E)-1-(4-isopropoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(1-naphthyl)thiourea Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=O)C(=C(C)NNC(=S)NC2=CC=CC3=CC=CC=C32)C=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC(=O)/C(=C(\C)/NNC(=S)NC2=CC=CC3=CC=CC=C32)/C=C1[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-13(2)30-21-12-20(27)17(11-19(21)26(28)29)14(3)24-25-22(31)23-18-10-6-8-15-7-4-5-9-16(15)18/h4-13,24H,1-3H3,(H2,23,25,31)/b17-14+