N-[(2R)-4-phenylbutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2R)-4-phenylbutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2R)-4-phenylbutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H21N3OS/c1-16(9-10-17-7-3-2-4-8-17)23-21(26)18-11-12-19-20(15-18)27-22(24-19)25-13-5-6-14-25/h2-8,11-16H,9-10H2,1H3,(H,23,26)/t16-/m1/s1