1-(1-adamantyl)-3-[[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(3,5-dibromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(3,5-dibromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C18H21Br2N3OS MolecularWeight: 487.25184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC=C4C=C(C=C(C4=O)Br)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC=C4C=C(C=C(C4=O)Br)Br

InChI

InChI=1S/C18H21Br2N3OS/c19-14-4-13(16(24)15(20)5-14)9-21-23-17(25)22-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12,21H,1-3,6-8H2,(H2,22,23,25)