1-(1-adamantylmethyl)-3-(4-butylphenyl)thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-(4-butylphenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(4-butylphenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(4-butylphenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(4-butylphenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(4-butylphenyl)thiourea Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2S/c1-2-3-4-16-5-7-20(8-6-16)24-21(25)23-15-22-12-17-9-18(13-22)11-19(10-17)14-22/h5-8,17-19H,2-4,9-15H2,1H3,(H2,23,24,25)