1-[[(E)-(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[(E)-(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[(E)-(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenyl-thiourea CAS Name: 1-[[(E)-(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(E)-(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenylthiourea Traditional Name: 1-[[(E)-(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenyl-thiourea Formula: C15H14IN3O2S MolecularWeight: 427.26003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=CC=CC=C2)C=C(C1=O)I

Isomeric SMILES

COC1=C/C(=C\NNC(=S)NC2=CC=CC=C2)/C=C(C1=O)I

InChI

InChI=1S/C15H14IN3O2S/c1-21-13-8-10(7-12(16)14(13)20)9-17-19-15(22)18-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,18,19,22)/b10-9-