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

Systemtic Name: N-[2-methyl-3-[2-[[4-(3-methylbutylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[2-[4-(isopentylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-methyl-3-[2-[4-[(3-methylbutylamino)-oxomethyl]anilino]-4-pyrimidinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-3-[2-[4-(3-methylbutylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[2-[4-(isoamylcarbamoyl)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:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=NC(=NC=C4)NC5=CC=C(C=C5)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=NC(=NC=C4)NC5=CC=C(C=C5)C(=O)NCCC(C)C

InChI

InChI=1S/C32H35N5O2S/c1-20(2)15-17-33-30(38)22-11-13-24(14-12-22)35-32-34-18-16-27(37-32)25-8-6-9-26(21(25)3)36-31(39)29-19-23-7-4-5-10-28(23)40-29/h6,8-9,11-14,16,18-20H,4-5,7,10,15,17H2,1-3H3,(H,33,38)(H,36,39)(H,34,35,37)