N-[2-(azepan-1-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-(1,3-benzothiazol-2-yl)propionamide Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H25N3OS/c22-17(19-11-14-21-12-5-1-2-6-13-21)9-10-18-20-15-7-3-4-8-16(15)23-18/h3-4,7-8H,1-2,5-6,9-14H2,(H,19,22)