N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-bromo-4-methoxy-phenyl)propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-bromo-4-methoxyphenyl)propanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-bromo-4-methoxyphenyl)propanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-bromo-4-methoxy-phenyl)propionamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCCC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCCC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-25-17-10-8-14(13-15(17)21)9-11-19(24)22-12-4-7-20-23-16-5-2-3-6-18(16)26-20/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H,22,24)