N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propionamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H23N3O3S/c1-16(26-19-10-11-21-22(15-19)31-13-12-30-21)25(29)27-18-8-6-17(7-9-18)14-24-28-20-4-2-3-5-23(20)32-24/h2-11,15-16,26H,12-14H2,1H3,(H,27,29)