N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]-4-(pyrrolidinomethyl)benzamide Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCC3)NC4=NC(=CS4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCC3)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C27H27N5OS/c1-19-6-11-23(15-24(19)30-27-31-25(18-34-27)22-5-4-12-28-16-22)29-26(33)21-9-7-20(8-10-21)17-32-13-2-3-14-32/h4-12,15-16,18H,2-3,13-14,17H2,1H3,(H,29,33)(H,30,31)