2-[3-(4-aminocarbonylpiperidin-1-yl)carbothioylindol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-aminocarbonylpiperidin-1-yl)carbothioylindol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-carbamoylpiperidine-1-carbothioyl)indol-1-yl]acetic acid CAS Name: 2-[3-[(4-carbamoyl-1-piperidinyl)-sulfanylidenemethyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-carbamoylpiperidine-1-carbothioyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(4-carbamoylpiperidine-1-carbothioyl)indol-1-yl]acetic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=S)C2=CN(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=S)C2=CN(C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C17H19N3O3S/c18-16(23)11-5-7-19(8-6-11)17(24)13-9-20(10-15(21)22)14-4-2-1-3-12(13)14/h1-4,9,11H,5-8,10H2,(H2,18,23)(H,21,22)