1-[1-(1-adamantyl)butyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(phenylmethyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-benzyl-thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-benzylthiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-benzyl-thiourea Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H32N2S/c1-2-6-20(24-21(25)23-15-16-7-4-3-5-8-16)22-12-17-9-18(13-22)11-19(10-17)14-22/h3-5,7-8,17-20H,2,6,9-15H2,1H3,(H2,23,24,25)