(3S)-3-acetamido-3-(4-methylphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: (3S)-3-acetamido-3-(4-methylphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: (3S)-3-acetamido-3-(p-tolyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide CAS Name: (3S)-3-acetamido-3-(4-methylphenyl)-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: (3S)-3-acetamido-3-(4-methylphenyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: (3S)-3-acetamido-3-(p-tolyl)-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)NC(=O)C

InChI

InChI=1S/C23H26N4O2S/c1-15-5-7-17(8-6-15)20(24-16(2)28)14-22(29)25-18-9-10-19-21(13-18)30-23(26-19)27-11-3-4-12-27/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,24,28)(H,25,29)/t20-/m0/s1