N-[4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18BrN3O3S/c1-13-11-15(22)6-9-17(13)25-19(26)12-23-20(27)14-4-7-16(8-5-14)24-21(28)18-3-2-10-29-18/h2-11H,12H2,1H3,(H,23,27)(H,24,28)(H,25,26)