N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H20N2O2S/c1-2-15-9-11-16(12-10-15)21(20-8-5-13-28-20)25-23(27)19-14-17-6-3-4-7-18(17)22(26)24-19/h3-14,21H,2H2,1H3,(H,24,26)(H,25,27)