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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[4-(4-pyridylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[4-(4-pyridylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C27H25N3O2S2/c1-3-32-26(31)24-23(21-7-5-4-6-8-21)18(2)34-25(24)30-27(33)29-22-11-9-19(10-12-22)17-20-13-15-28-16-14-20/h4-16H,3,17H2,1-2H3,(H2,29,30,33)