3-(4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea

Systemtic Name: 3-(4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea Openeye Name: 1-isopentyl-3-(4-methoxyphenyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea CAS Name: 3-(4-methoxyphenyl)-1-(3-methylbutyl)-1-[1-(4-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea Traditional Name: 1-isoamyl-3-(4-methoxyphenyl)-1-(1-pyridin-1-ium-4-ylethyl)thiourea Formula: C20H28N3OS+ MolecularWeight: 358.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C)C1=CC=[NH+]C=C1)C(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCN(C(C)C1=CC=[NH+]C=C1)C(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N3OS/c1-15(2)11-14-23(16(3)17-9-12-21-13-10-17)20(25)22-18-5-7-19(24-4)8-6-18/h5-10,12-13,15-16H,11,14H2,1-4H3,(H,22,25)/p+1