3-(4-ethylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-ethylphenyl)-1-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(4-ethylphenyl)-1-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-1-(2-thenyl)thiourea Formula: C23H34N3S2+ MolecularWeight: 416.66616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCC(CC2)C)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+]2CCC(CC2)C)CC3=CC=CS3

InChI

InChI=1S/C23H33N3S2/c1-3-20-7-9-21(10-8-20)24-23(27)26(18-22-6-4-17-28-22)14-5-13-25-15-11-19(2)12-16-25/h4,6-10,17,19H,3,5,11-16,18H2,1-2H3,(H,24,27)/p+1