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

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(3-phenylpropylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(3-phenylpropylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NCCCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C24H24N4O2S/c1-17(22(29)25-13-7-10-18-8-3-2-4-9-18)26-23(30)19-11-12-20-21(16-19)31-24(27-20)28-14-5-6-15-28/h2-6,8-9,11-12,14-17H,7,10,13H2,1H3,(H,25,29)(H,26,30)/t17-/m0/s1