methyl 5-methyl-4-phenyl-2-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzyl-4-piperidyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpiperidin-4-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-benzyl-4-piperidyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-18-22(20-11-7-4-8-12-20)23(25(30)31-2)24(33-18)28-26(32)27-21-13-15-29(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,13-17H2,1-2H3,(H2,27,28,32)