1-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(o-tolyl)thiourea CAS Name: 1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(o-tolyl)thiourea Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-10-5-3-4-6-12(10)18-16(25)19-17-9-11-7-13(20(22)23)15(21)14(8-11)24-2/h3-9,17H,1-2H3,(H2,18,19,25)