N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoxaline-2-carboxamide CAS Name: N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoxaline-2-carboxamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O2S/c30-23(20-15-26-18-11-5-6-12-19(18)28-20)29-25-22(17-10-4-7-13-21(17)32-25)24(31)27-14-16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12,15H,4,7,10,13-14H2,(H,27,31)(H,29,30)