1-(1-adamantyl)-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=S)NC23CC4CC(C2)CC(C4)C3)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC(=S)NC23CC4CC(C2)CC(C4)C3)C=CC1=O

InChI

InChI=1S/C20H27N3O2S/c1-2-25-18-8-13(3-4-17(18)24)12-21-23-19(26)22-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,12,14-16,21H,2,5-7,9-11H2,1H3,(H2,22,23,26)