N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O2S/c1-14(26)22-15-8-10-16(11-9-15)23-20(27)13-25-12-4-6-18(25)21-24-17-5-2-3-7-19(17)28-21/h2-3,5,7-11,18H,4,6,12-13H2,1H3,(H,22,26)(H,23,27)/t18-/m1/s1