1-(1-adamantyl)-3-[(E)-(3-iodanylphenyl)methylideneamino]thiourea

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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