4-bromanyl-2-[[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]amino]-N-(phenylmethyl)-1,3-thiazole-5-carboxamide

Systemtic Name: 4-bromanyl-2-[[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]amino]-N-(phenylmethyl)-1,3-thiazole-5-carboxamide Openeye Name: N-benzyl-4-bromo-2-[5-(cyclopropylcarbamoyl)-2-methyl-anilino]thiazole-5-carboxamide CAS Name: 4-bromo-2-[5-[(cyclopropylamino)-oxomethyl]-2-methylanilino]-N-(phenylmethyl)-5-thiazolecarboxamide IUPAC Name: N-benzyl-4-bromo-2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-1,3-thiazole-5-carboxamide Traditional Name: N-benzyl-4-bromo-2-[5-(cyclopropylcarbamoyl)-2-methyl-anilino]thiazole-5-carboxamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=C(S3)C(=O)NCC4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=C(S3)C(=O)NCC4=CC=CC=C4)Br

InChI

InChI=1S/C22H21BrN4O2S/c1-13-7-8-15(20(28)25-16-9-10-16)11-17(13)26-22-27-19(23)18(30-22)21(29)24-12-14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3,(H,24,29)(H,25,28)(H,26,27)