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

Systemtic Name: 1-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea CAS Name: 1-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-p-cumenyl-thiourea Formula: C17H18N4O3S MolecularWeight: 358.41482

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c1-11(2)12-3-5-14(6-4-12)19-17(25)20-18-10-13-9-15(21(23)24)7-8-16(13)22/h3-11,18H,1-2H3,(H2,19,20,25)/b13-10+