3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: 3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide Openeye Name: 3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide CAS Name: 3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: 3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide Traditional Name: 3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)NCCC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-14(25)23-18(15-7-9-16(27-2)10-8-15)13-20(26)22-12-11-21-24-17-5-3-4-6-19(17)28-21/h3-10,18H,11-13H2,1-2H3,(H,22,26)(H,23,25)