1-(5-iodanyl-2-methyl-phenyl)-3-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-(5-iodanyl-2-methyl-phenyl)-3-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(5-iodo-2-methyl-phenyl)-3-[1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(5-iodo-2-methylphenyl)-3-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-(5-iodo-2-methylphenyl)-3-[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-(5-iodo-2-methyl-phenyl)-3-[1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Formula: C17H18IN3OS MolecularWeight: 439.31379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C)NNC(=S)NC2=C(C=CC(=C2)I)C)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C(C)NNC(=S)NC2=C(C=CC(=C2)I)C)C(=O)C=C1

InChI

InChI=1S/C17H18IN3OS/c1-10-4-7-16(22)14(8-10)12(3)20-21-17(23)19-15-9-13(18)6-5-11(15)2/h4-9,20H,1-3H3,(H2,19,21,23)