N-(2-aminophenyl)-4-[(pyridin-3-ylmethylcarbamothioylamino)methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[(pyridin-3-ylmethylcarbamothioylamino)methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[(3-pyridylmethylcarbamothioylamino)methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[(pyridin-3-ylmethylcarbamothioylamino)methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[(3-pyridylmethylthiocarbamoylamino)methyl]benzamide Formula: C21H21N5OS MolecularWeight: 391.48934

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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)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C21H21N5OS/c22-18-5-1-2-6-19(18)26-20(27)17-9-7-15(8-10-17)13-24-21(28)25-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,26,27)(H2,24,25,28)