1-(1-adamantyl)-3-[(E)-(4-iodophenyl)methylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(4-iodophenyl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(4-iodophenyl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(4-iodophenyl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(4-iodophenyl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(4-iodobenzylidene)amino]thiourea Formula: C18H22IN3S MolecularWeight: 439.35685

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=C(C=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=CC=C(C=C4)I

InChI

InChI=1S/C18H22IN3S/c19-16-3-1-12(2-4-16)11-20-22-17(23)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H2,21,22,23)/b20-11+