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

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Openeye Name: 1-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-21(2,3)17-12-15(13-18(19(17)26)22(4,5)6)14-23-25-20(27)24-16-10-8-7-9-11-16/h7-14,23H,1-6H3,(H2,24,25,27)