1-(1-adamantyl)-3-[(2,4-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(2,4-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(2,4-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(2,4-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(6-keto-2,4-dimethoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=CNNC(=S)NC23CC4CC(C2)CC(C4)C3)C(=C1)OC

Isomeric SMILES

COC1=CC(=O)C(=CNNC(=S)NC23CC4CC(C2)CC(C4)C3)C(=C1)OC

InChI

InChI=1S/C20H27N3O3S/c1-25-15-6-17(24)16(18(7-15)26-2)11-21-23-19(27)22-20-8-12-3-13(9-20)5-14(4-12)10-20/h6-7,11-14,21H,3-5,8-10H2,1-2H3,(H2,22,23,27)