N-[N'-[[4-acetamido-3,5-bis(chloranyl)phenyl]methyl]carbamimidoyl]-2-(5-bromanyl-2-cyano-1H-indol-3-yl)ethanamide

Systemtic Name: N-[N'-[[4-acetamido-3,5-bis(chloranyl)phenyl]methyl]carbamimidoyl]-2-(5-bromanyl-2-cyano-1H-indol-3-yl)ethanamide Openeye Name: N-[N'-[(4-acetamido-3,5-dichloro-phenyl)methyl]carbamimidoyl]-2-(5-bromo-2-cyano-1H-indol-3-yl)acetamide CAS Name: N-[(4-acetamido-3,5-dichlorophenyl)methylimino-aminomethyl]-2-(5-bromo-2-cyano-1H-indol-3-yl)acetamide IUPAC Name: N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-2-(5-bromo-2-cyano-1H-indol-3-yl)acetamide Traditional Name: N-[N'-(4-acetamido-3,5-dichloro-benzyl)amidino]-2-(5-bromo-2-cyano-1H-indol-3-yl)acetamide Formula: C21H17BrCl2N6O2 MolecularWeight: 536.20868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1Cl)CN=C(N)NC(=O)CC2=C(NC3=C2C=C(C=C3)Br)C#N)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1Cl)CN=C(N)NC(=O)CC2=C(NC3=C2C=C(C=C3)Br)C#N)Cl

InChI

InChI=1S/C21H17BrCl2N6O2/c1-10(31)28-20-15(23)4-11(5-16(20)24)9-27-21(26)30-19(32)7-14-13-6-12(22)2-3-17(13)29-18(14)8-25/h2-6,29H,7,9H2,1H3,(H,28,31)(H3,26,27,30,32)