methyl N-[[4-phenyl-3-(2-phenylethanoylamino)thiophen-2-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-phenyl-3-(2-phenylethanoylamino)thiophen-2-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-phenyl-3-[(2-phenylacetyl)amino]-2-thienyl]carbamothioyl]carbamate CAS Name: N-[[[3-[(1-oxo-2-phenylethyl)amino]-4-phenyl-2-thiophenyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-phenyl-3-[(2-phenylacetyl)amino]thiophen-2-yl]carbamothioyl]carbamate Traditional Name: N-[[4-phenyl-3-[(2-phenylacetyl)amino]-2-thienyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C(=CS1)C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C(=CS1)C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S2/c1-27-21(26)24-20(28)23-19-18(16(13-29-19)15-10-6-3-7-11-15)22-17(25)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,22,25)(H2,23,24,26,28)