N-(3-aminocarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N

InChI

InChI=1S/C21H23N3O3S/c1-12(25)24-10-8-14(9-11-24)20(27)23-21-17(19(22)26)16-7-6-13-4-2-3-5-15(13)18(16)28-21/h2-5,14H,6-11H2,1H3,(H2,22,26)(H,23,27)