methyl 5-phenyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[4-(4-pyridylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-(4-pyridylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C25H21N3O2S2/c1-30-24(29)21-16-22(19-5-3-2-4-6-19)32-23(21)28-25(31)27-20-9-7-17(8-10-20)15-18-11-13-26-14-12-18/h2-14,16H,15H2,1H3,(H2,27,28,31)