N-[(E)-(3,4-dimethylphenyl)methylideneamino]-4-methyl-2-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]carbonylamino]thiophene-3-carboxamide

Systemtic Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-4-methyl-2-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]carbonylamino]thiophene-3-carboxamide Openeye Name: N-[(E)-(3,4-dimethylphenyl)methyleneamino]-4-methyl-2-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoyl]amino]thiophene-3-carboxamide CAS Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-4-methyl-2-[[oxo-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]amino]-3-thiophenecarboxamide IUPAC Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-4-methyl-2-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzoyl]amino]thiophene-3-carboxamide Traditional Name: N-[(E)-(3,4-dimethylbenzylidene)amino]-4-methyl-2-[[3-[[4-(2-pyrimidyl)piperazino]methyl]benzoyl]amino]thiophene-3-carboxamide Formula: C31H33N7O2S MolecularWeight: 567.70442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=NNC(=O)C2=C(SC=C2C)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(SC=C2C)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C31H33N7O2S/c1-21-8-9-24(16-22(21)2)18-34-36-29(40)27-23(3)20-41-30(27)35-28(39)26-7-4-6-25(17-26)19-37-12-14-38(15-13-37)31-32-10-5-11-33-31/h4-11,16-18,20H,12-15,19H2,1-3H3,(H,35,39)(H,36,40)/b34-18+