2,6,7-trimethyl-1-oxidanylidene-4-phenyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide

Systemtic Name: 2,6,7-trimethyl-1-oxidanylidene-4-phenyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide Openeye Name: 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-thienylmethyl)isoquinoline-3-carboxamide CAS Name: 2,6,7-trimethyl-1-oxo-4-phenyl-N-(thiophen-2-ylmethyl)-3-isoquinolinecarboxamide IUPAC Name: 2,6,7-trimethyl-1-oxo-4-phenyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide Traditional Name: 1-keto-2,6,7-trimethyl-4-phenyl-N-(2-thenyl)isoquinoline-3-carboxamide Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(=O)NCC3=CC=CS3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C(=O)NCC3=CC=CS3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O2S/c1-15-12-19-20(13-16(15)2)24(28)26(3)22(21(19)17-8-5-4-6-9-17)23(27)25-14-18-10-7-11-29-18/h4-13H,14H2,1-3H3,(H,25,27)