N-[2-methyl-3-[2-[[4-(pentan-3-ylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-methyl-3-[2-[[4-(pentan-3-ylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[2-[4-(1-ethylpropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-methyl-3-[2-[4-[oxo-(pentan-3-ylamino)methyl]anilino]-4-pyrimidinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-3-[2-[4-(pentan-3-ylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[2-[4-(1-ethylpropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C32H35N5O2S MolecularWeight: 553.7176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC5=C(S4)CCCC5)C

Isomeric SMILES

CCC(CC)NC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C(C(=CC=C3)NC(=O)C4=CC5=C(S4)CCCC5)C

InChI

InChI=1S/C32H35N5O2S/c1-4-23(5-2)34-30(38)21-13-15-24(16-14-21)35-32-33-18-17-27(37-32)25-10-8-11-26(20(25)3)36-31(39)29-19-22-9-6-7-12-28(22)40-29/h8,10-11,13-19,23H,4-7,9,12H2,1-3H3,(H,34,38)(H,36,39)(H,33,35,37)