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

Systemtic Name: N-(2-aminophenyl)-4-[[(3-aminophenyl)carbamothioylamino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[(3-aminophenyl)carbamothioylamino]methyl]benzamide CAS Name: 4-[[[(3-aminoanilino)-sulfanylidenemethyl]amino]methyl]-N-(2-aminophenyl)benzamide IUPAC Name: N-(2-aminophenyl)-4-[[(3-aminophenyl)carbamothioylamino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[(3-aminophenyl)thiocarbamoylamino]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)NC3=CC=CC(=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=S)NC3=CC=CC(=C3)N

InChI

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