2-phenylpropyl 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-phenylpropyl 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: 2-phenylpropyl 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylic acid 2-phenylpropyl ester IUPAC Name: 2-phenylpropyl 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylic acid 2-phenylpropyl ester Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(COC(=O)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O2S/c1-16(17-6-3-2-4-7-17)15-28-22(27)26-11-5-10-25(12-13-26)21-24-19-9-8-18(23)14-20(19)29-21/h2-4,6-9,14,16H,5,10-13,15H2,1H3