3-(2-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(o-tolyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2-methylphenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2-methylphenyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(o-tolyl)-1-(3-piperidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C21H30N3S2+ MolecularWeight: 388.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3S2/c1-18-9-3-4-11-20(18)22-21(25)24(17-19-10-7-16-26-19)15-8-14-23-12-5-2-6-13-23/h3-4,7,9-11,16H,2,5-6,8,12-15,17H2,1H3,(H,22,25)/p+1