ethyl 5-(phenylmethyl)-2-[[(1R)-1-pyridin-4-ylethyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[(1R)-1-pyridin-4-ylethyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(1R)-1-(4-pyridyl)ethyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[[(1R)-1-pyridin-4-ylethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(1R)-1-pyridin-4-ylethyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(1R)-1-(4-pyridyl)ethyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N[C@H](C)C3=CC=NC=C3

InChI

InChI=1S/C22H23N3O2S2/c1-3-27-21(26)19-14-18(13-16-7-5-4-6-8-16)29-20(19)25-22(28)24-15(2)17-9-11-23-12-10-17/h4-12,14-15H,3,13H2,1-2H3,(H2,24,25,28)/t15-/m1/s1