3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarbothioamide

Systemtic Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarbothioamide Openeye Name: 3-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxo-pyrrolidin-1-yl]methyl]benzenecarbothioamide CAS Name: 3-[[(3S)-3-[(7-methoxy-2-naphthalenyl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarbothioamide IUPAC Name: 3-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzenecarbothioamide Traditional Name: 3-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-(1H-pyrazol-5-ylmethyl)amino]pyrrolidino]methyl]thiobenzamide Formula: C27H27N5O4S2 MolecularWeight: 549.66438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=NN3)C4CCN(C4=O)CC5=CC=CC(=C5)C(=S)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=NN3)[C@H]4CCN(C4=O)CC5=CC=CC(=C5)C(=S)N

InChI

InChI=1S/C27H27N5O4S2/c1-36-23-7-5-19-6-8-24(15-21(19)14-23)38(34,35)32(17-22-9-11-29-30-22)25-10-12-31(27(25)33)16-18-3-2-4-20(13-18)26(28)37/h2-9,11,13-15,25H,10,12,16-17H2,1H3,(H2,28,37)(H,29,30)/t25-/m0/s1