N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenyl]-2-azanyl-2-propyl-pentanamide

Systemtic Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenyl]-2-azanyl-2-propyl-pentanamide Openeye Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloro-phenyl]-2-amino-2-propyl-pentanamide CAS Name: N-[4-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2-chlorophenyl]-2-amino-2-propylpentanamide IUPAC Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chlorophenyl]-2-amino-2-propylpentanamide Traditional Name: N-[4-[[(4-acetamidophenyl)thio]carbamoylamino]-2-chloro-phenyl]-2-amino-2-propyl-valeramide Formula: C23H30ClN5O3S MolecularWeight: 492.034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O3S/c1-4-12-23(25,13-5-2)21(31)28-20-11-8-17(14-19(20)24)27-22(32)29-33-18-9-6-16(7-10-18)26-15(3)30/h6-11,14H,4-5,12-13,25H2,1-3H3,(H,26,30)(H,28,31)(H2,27,29,32)