N-[(2S)-1-oxidanylidene-1-[(2-oxidanyl-2-phenyl-ethyl)amino]propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[(2-oxidanyl-2-phenyl-ethyl)amino]propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-2-[(2-hydroxy-2-phenyl-ethyl)amino]-1-methyl-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-[(2-hydroxy-2-phenylethyl)amino]-1-oxopropan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-[(2-hydroxy-2-phenylethyl)amino]-1-oxopropan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-2-[(2-hydroxy-2-phenyl-ethyl)amino]-2-keto-1-methyl-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c1-15(21(29)24-14-19(28)16-7-3-2-4-8-16)25-22(30)17-9-10-18-20(13-17)31-23(26-18)27-11-5-6-12-27/h2-13,15,19,28H,14H2,1H3,(H,24,29)(H,25,30)/t15-,19?/m0/s1