2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[4-[[(cyclopropylamino)-oxomethyl]amino]phenyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)NC(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)NC(=O)NC3CC3

InChI

InChI=1S/C20H22BrN3O2S/c1-12-10-18(13(2)9-17(12)21)27-11-19(25)22-14-3-5-15(6-4-14)23-20(26)24-16-7-8-16/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,22,25)(H2,23,24,26)