3-[[(4-methoxyphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]carbamothioylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[[(4-methoxyphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]carbamothioylamino]thiophene-2-carboxylic acid Openeye Name: 3-[[(4-methoxyphenyl)-[2-methyl-6-(1-piperidyl)phenyl]methyl]carbamothioylamino]thiophene-2-carboxylic acid CAS Name: 3-[[[[(4-methoxyphenyl)-[2-methyl-6-(1-piperidinyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[(4-methoxyphenyl)-(2-methyl-6-piperidin-1-ylphenyl)methyl]carbamothioylamino]thiophene-2-carboxylic acid Traditional Name: 3-[[(4-methoxyphenyl)-(2-methyl-6-piperidino-phenyl)methyl]thiocarbamoylamino]-2-thenoic acid Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)OC)NC(=S)NC4=C(SC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)OC)NC(=S)NC4=C(SC=C4)C(=O)O

InChI

InChI=1S/C26H29N3O3S2/c1-17-7-6-8-21(29-14-4-3-5-15-29)22(17)23(18-9-11-19(32-2)12-10-18)28-26(33)27-20-13-16-34-24(20)25(30)31/h6-13,16,23H,3-5,14-15H2,1-2H3,(H,30,31)(H2,27,28,33)