N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide CAS Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide Traditional Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propionamide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2O3S/c1-12(13-6-7-15-16(10-13)24-11-23-15)20-18(22)8-9-19-21-14-4-2-3-5-17(14)25-19/h2-7,10,12H,8-9,11H2,1H3,(H,20,22)/t12-/m0/s1