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

Systemtic Name: N-(2-aminophenyl)-4-[[(3-aminophenyl)sulfanylcarbamoylamino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[(3-aminophenyl)sulfanylcarbamoylamino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[[[(3-aminophenyl)thio]amino]-oxomethyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[(3-aminophenyl)sulfanylcarbamoylamino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[(3-aminophenyl)thio]carbamoylamino]methyl]benzamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)NSC3=CC=CC(=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)NSC3=CC=CC(=C3)N

InChI

InChI=1S/C21H21N5O2S/c22-16-4-3-5-17(12-16)29-26-21(28)24-13-14-8-10-15(11-9-14)20(27)25-19-7-2-1-6-18(19)23/h1-12H,13,22-23H2,(H,25,27)(H2,24,26,28)