N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenyl]-2-azanyl-2-ethyl-butanamide

Systemtic Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenyl]-2-azanyl-2-ethyl-butanamide Openeye Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloro-phenyl]-2-amino-2-ethyl-butanamide CAS Name: N-[4-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2-chlorophenyl]-2-amino-2-ethylbutanamide IUPAC Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chlorophenyl]-2-amino-2-ethylbutanamide Traditional Name: N-[4-[[(4-acetamidophenyl)thio]carbamoylamino]-2-chloro-phenyl]-2-amino-2-ethyl-butyramide Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC1=C(C=C(C=C1)NC(=O)NSC2=CC=C(C=C2)NC(=O)C)Cl)N

Isomeric SMILES

CCC(CC)(C(=O)NC1=C(C=C(C=C1)NC(=O)NSC2=CC=C(C=C2)NC(=O)C)Cl)N

InChI

InChI=1S/C21H26ClN5O3S/c1-4-21(23,5-2)19(29)26-18-11-8-15(12-17(18)22)25-20(30)27-31-16-9-6-14(7-10-16)24-13(3)28/h6-12H,4-5,23H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30)