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

Systemtic Name: 1-butyl-3-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C13H18IN3O2S MolecularWeight: 407.27039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC

Isomeric SMILES

CCCCNC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC

InChI

InChI=1S/C13H18IN3O2S/c1-3-4-5-15-13(20)17-16-8-9-6-10(14)12(18)11(7-9)19-2/h6-8,16H,3-5H2,1-2H3,(H2,15,17,20)