N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide Openeye Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(3-pyridylmethylamino)thiazole-5-carboxamide CAS Name: N-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-2-(3-pyridinylmethylamino)-5-thiazolecarboxamide IUPAC Name: N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide Traditional Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(3-pyridylmethylamino)thiazole-5-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CN=C(S3)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CN=C(S3)NCC4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-13-4-5-15(19(27)25-16-6-7-16)9-17(13)26-20(28)18-12-24-21(29-18)23-11-14-3-2-8-22-10-14/h2-5,8-10,12,16H,6-7,11H2,1H3,(H,23,24)(H,25,27)(H,26,28)