S-(pyridin-3-ylmethoxy) N-[[(2-aminophenyl)-(phenylcarbonyl)amino]methyl]carbamothioate

Systemtic Name: S-(pyridin-3-ylmethoxy) N-[[(2-aminophenyl)-(phenylcarbonyl)amino]methyl]carbamothioate Openeye Name: S-(3-pyridylmethoxy) N-[(2-amino-N-benzoyl-anilino)methyl]carbamothioate CAS Name: [(2-amino-N-benzoylanilino)methylamino]-oxomethanesulfenic acid 3-pyridinylmethyl ester IUPAC Name: S-(pyridin-3-ylmethoxy) N-[(2-amino-N-benzoylanilino)methyl]carbamothioate Traditional Name: N-[(2-amino-N-benzoyl-anilino)methyl]thiocarbamic acid S-(3-pyridylmethoxy) ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CNC(=O)SOCC2=CN=CC=C2)C3=CC=CC=C3N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CNC(=O)SOCC2=CN=CC=C2)C3=CC=CC=C3N

InChI

InChI=1S/C21H20N4O3S/c22-18-10-4-5-11-19(18)25(20(26)17-8-2-1-3-9-17)15-24-21(27)29-28-14-16-7-6-12-23-13-16/h1-13H,14-15,22H2,(H,24,27)