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

Systemtic Name: 1-(1-adamantyl)-3-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C18H22BrN3OS MolecularWeight: 408.35578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC=C4C=C(C=CC4=O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC=C4C=C(C=CC4=O)Br

InChI

InChI=1S/C18H22BrN3OS/c19-15-1-2-16(23)14(6-15)10-20-22-17(24)21-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13,20H,3-5,7-9H2,(H2,21,22,24)