N-[4-(azepan-1-ylcarbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-chloranyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-chloranyl-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-chloro-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-chlorobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-chlorobenzamide Traditional Name: N-[4-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-chloro-benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-15-10-8-14(9-11-15)19(26)24-21-23-18-16(6-5-7-17(18)28-21)20(27)25-12-3-1-2-4-13-25/h8-11,16H,1-7,12-13H2,(H,23,24,26)