N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-(diethylamino)ethanamide

Systemtic Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-(diethylamino)ethanamide Openeye Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-phenyl]-2-(diethylamino)acetamide CAS Name: N-[4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-(diethylamino)acetamide IUPAC Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chlorophenyl]-2-(diethylamino)acetamide Traditional Name: N-[4-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-phenyl]-2-(diethylamino)acetamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl

Isomeric SMILES

CCN(CC)CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-4-27(5-2)13-20(29)26-19-11-10-17(12-18(19)22)25-21(30)24-16-8-6-15(7-9-16)23-14(3)28/h6-12H,4-5,13H2,1-3H3,(H,23,28)(H,26,29)(H2,24,25,30)