3-acetamido-N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide

Systemtic Name: 3-acetamido-N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide Openeye Name: 3-acetamido-N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]propanamide CAS Name: 3-acetamido-N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide IUPAC Name: 3-acetamido-N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide Traditional Name: 3-acetamido-N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=C(C2=C(S1)CCCC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)NCCC(=O)NC1=C(C2=C(S1)CCCC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O2S/c1-12(25)21-11-10-17(26)24-20-18(13-6-2-5-9-16(13)27-20)19-22-14-7-3-4-8-15(14)23-19/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,25)(H,22,23)(H,24,26)