1-[3-tert-butyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,3,4-thiadiazolidin-2-yl]thiourea

Systemtic Name: 1-[3-tert-butyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,3,4-thiadiazolidin-2-yl]thiourea Openeye Name: [3-tert-butyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3,4-thiadiazolidin-2-yl]thiourea CAS Name: [3-tert-butyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,3,4-thiadiazolidin-2-yl]thiourea IUPAC Name: [3-tert-butyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3,4-thiadiazolidin-2-yl]thiourea Traditional Name: [3-tert-butyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3,4-thiadiazolidin-2-yl]thiourea Formula: C13H18N4OS2 MolecularWeight: 310.43822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(SC(=C2C=CC(=O)C=C2)N1)NC(=S)N

Isomeric SMILES

CC(C)(C)N1C(SC(=C2C=CC(=O)C=C2)N1)NC(=S)N

InChI

InChI=1S/C13H18N4OS2/c1-13(2,3)17-12(15-11(14)19)20-10(16-17)8-4-6-9(18)7-5-8/h4-7,12,16H,1-3H3,(H3,14,15,19)