3-(2-ethyl-6-methyl-phenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2-ethyl-6-methyl-phenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2-ethyl-6-methylphenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2-ethyl-6-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C23H34N3S2+ MolecularWeight: 416.66616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C23H33N3S2/c1-3-20-11-7-10-19(2)22(20)24-23(27)26(18-21-12-8-17-28-21)16-9-15-25-13-5-4-6-14-25/h7-8,10-12,17H,3-6,9,13-16,18H2,1-2H3,(H,24,27)/p+1