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

Systemtic Name: N-[2-methyl-3-[2-[[4-(propan-2-ylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[2-[4-(isopropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-methyl-3-[2-[4-[oxo-(propan-2-ylamino)methyl]anilino]-4-pyrimidinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[2-[4-(isopropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C30H31N5O2S MolecularWeight: 525.66444

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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)NC(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)NC(C)C

InChI

InChI=1S/C30H31N5O2S/c1-18(2)32-28(36)20-11-13-22(14-12-20)33-30-31-16-15-25(35-30)23-8-6-9-24(19(23)3)34-29(37)27-17-21-7-4-5-10-26(21)38-27/h6,8-9,11-18H,4-5,7,10H2,1-3H3,(H,32,36)(H,34,37)(H,31,33,35)