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

Systemtic Name: 1-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-isopropyl-thiourea CAS Name: 1-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-propan-2-ylthiourea Traditional Name: 1-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-isopropyl-thiourea Formula: C12H16IN3O2S MolecularWeight: 393.24381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC

Isomeric SMILES

CC(C)NC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC

InChI

InChI=1S/C12H16IN3O2S/c1-7(2)15-12(19)16-14-6-8-4-9(13)11(17)10(5-8)18-3/h4-7,14H,1-3H3,(H2,15,16,19)