N-[(2S)-1-[(2-chloranylpyridin-3-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-[(2-chloranylpyridin-3-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-[(2-chloro-3-pyridyl)carbamoyl]-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[(2-chloro-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[(2-chloropyridin-3-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-[(2-chloro-3-pyridyl)carbamoyl]-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(N=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=C(N=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H20ClN5O2S/c1-13(2)18(21(30)25-16-6-5-9-24-19(16)23)27-20(29)14-7-8-15-17(12-14)31-22(26-15)28-10-3-4-11-28/h3-13,18H,1-2H3,(H,25,30)(H,27,29)/t18-/m0/s1