(E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanyl)phenyl]-3-(1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzothiazol-2-yl)acrylamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3OS/c26-21(13-14-22-24-19-7-3-4-8-20(19)27-22)23-17-9-11-18(12-10-17)25-15-5-1-2-6-16-25/h3-4,7-14H,1-2,5-6,15-16H2,(H,23,26)/b14-13+