4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]pyridine-2-carbothioamide

Systemtic Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]pyridine-2-carbothioamide Openeye Name: 4-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carbothioamide CAS Name: 4-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]-2-pyridinecarbothioamide IUPAC Name: 4-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]pyridine-2-carbothioamide Traditional Name: 4-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonylamino]pyrrolidino]methyl]thiopicolinamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC(=NC=C4)C(=S)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC(=NC=C4)C(=S)N

InChI

InChI=1S/C22H22N4O4S2/c1-30-17-4-2-15-3-5-18(12-16(15)11-17)32(28,29)25-19-7-9-26(22(19)27)13-14-6-8-24-20(10-14)21(23)31/h2-6,8,10-12,19,25H,7,9,13H2,1H3,(H2,23,31)/t19-/m0/s1