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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NNC(=S)NCC2=CC=CC=C2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NNC(=S)NCC2=CC=CC=C2)C=C(C1=O)C(C)(C)C

InChI

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