1-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-tert-butyl-thiourea

Systemtic Name: 1-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-tert-butyl-thiourea Openeye Name: 1-[(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-tert-butyl-thiourea CAS Name: 1-[(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-tert-butylthiourea IUPAC Name: 1-[(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-tert-butylthiourea Traditional Name: 1-[(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-tert-butyl-thiourea Formula: C13H18BrN3O2S MolecularWeight: 360.26992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O2S/c1-13(2,3)16-12(20)17-15-7-8-5-9(14)6-10(19-4)11(8)18/h5-7,15H,1-4H3,(H2,16,17,20)