3-(2,6-dimethylphenyl)-1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(2,6-dimethylphenyl)-1-[3-(1-piperidyl)propyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-[3-(1-piperidinyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2,6-dimethylphenyl)-1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-(3-piperidinopropyl)-1-(2-thenyl)thiourea Formula: C22H31N3S2 MolecularWeight: 401.63164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H31N3S2/c1-18-9-6-10-19(2)21(18)23-22(26)25(17-20-11-7-16-27-20)15-8-14-24-12-4-3-5-13-24/h6-7,9-11,16H,3-5,8,12-15,17H2,1-2H3,(H,23,26)