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

Systemtic Name: 1-[[(1E)-1-(3-nitro-6-oxidanylidene-4-propan-2-yloxy-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[(1E)-1-(4-isopropoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[(1E)-1-(3-nitro-6-oxo-4-propan-2-yloxy-1-cyclohexa-2,4-dienylidene)ethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(1E)-1-(3-nitro-6-oxo-4-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[(1E)-1-(4-isopropoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)ethyl]amino]-3-p-cumenyl-thiourea Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=C2C=C(C(=CC2=O)OC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NN/C(=C/2\C=C(C(=CC2=O)OC(C)C)[N+](=O)[O-])/C

InChI

InChI=1S/C21H26N4O4S/c1-12(2)15-6-8-16(9-7-15)22-21(30)24-23-14(5)17-10-18(25(27)28)20(11-19(17)26)29-13(3)4/h6-13,23H,1-5H3,(H2,22,24,30)/b17-14+