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

Systemtic Name: 1-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C12H14IN3O2S MolecularWeight: 391.22793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCC=C)C=C(C1=O)I

Isomeric SMILES

COC1=CC(=CNNC(=S)NCC=C)C=C(C1=O)I

InChI

InChI=1S/C12H14IN3O2S/c1-3-4-14-12(19)16-15-7-8-5-9(13)11(17)10(6-8)18-2/h3,5-7,15H,1,4H2,2H3,(H2,14,16,19)