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

Systemtic Name: N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazine-2-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazine-2-carboxamide CAS Name: N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazine-2-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazinamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=CN=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=CN=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c26-19(16-13-22-10-11-23-16)25-21-18(15-8-4-5-9-17(15)28-21)20(27)24-12-14-6-2-1-3-7-14/h1-3,6-7,10-11,13H,4-5,8-9,12H2,(H,24,27)(H,25,26)