1-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]-3-phenyl-thiourea

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]-3-phenyl-thiourea Openeye Name: 1-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]-3-phenyl-thiourea CAS Name: 1-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino]-3-phenylthiourea IUPAC Name: 1-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-3-phenylthiourea Traditional Name: 1-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino]-3-phenyl-thiourea Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NNC(=S)NC2=CC=CC=C2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NNC(=S)NC2=CC=CC=C2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H27N3OS/c1-20(2,3)16-12-15(13-17(18(16)25)21(4,5)6)23-24-19(26)22-14-10-8-7-9-11-14/h7-13H,1-6H3,(H2,22,24,26)