O-(pyridin-3-ylmethyl) N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamothioate

Systemtic Name: O-(pyridin-3-ylmethyl) N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamothioate Openeye Name: O-(3-pyridylmethyl) N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamothioate CAS Name: N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamothioic acid O-(3-pyridinylmethyl) ester IUPAC Name: O-(pyridin-3-ylmethyl) N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamothioate Traditional Name: N-[4-[(2-aminophenyl)carbamoyl]benzyl]thiocarbamic acid O-(3-pyridylmethyl) ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=S)OCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=S)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20N4O2S/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(28)27-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,28)(H,25,26)