N-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C19H22N4O2S/c1-12(2)11-20-17(24)13(3)21-18(25)14-6-7-15-16(10-14)26-19(22-15)23-8-4-5-9-23/h4-10,12-13H,11H2,1-3H3,(H,20,24)(H,21,25)/t13-/m0/s1