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4-[(4-benzamido-3-chloranyl-phenyl)carbamothioylamino]benzamide

4-[(4-benzamido-3-chloranyl-phenyl)carbamothioylamino]benzamide

Systemtic Name:4-[(4-benzamido-3-chloranyl-phenyl)carbamothioylamino]benzamide
Openeye Name:4-[(4-benzamido-3-chloro-phenyl)carbamothioylamino]benzamide
CAS Name:4-[[(4-benzamido-3-chloroanilino)-sulfanylidenemethyl]amino]benzamide
IUPAC Name:4-[(4-benzamido-3-chlorophenyl)carbamothioylamino]benzamide
Traditional Name:4-[(4-benzamido-3-chloro-phenyl)thiocarbamoylamino]benzamide
Formula: C21H17ClN4O2S
MolecularWeight: 424.90328
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N)Cl


Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N)Cl


InChI

InChI=1S/C21H17ClN4O2S/c22-17-12-16(10-11-18(17)26-20(28)14-4-2-1-3-5-14)25-21(29)24-15-8-6-13(7-9-15)19(23)27/h1-12H,(H2,23,27)(H,26,28)(H2,24,25,29)


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