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

Systemtic Name: 2-(2-bromophenyl)ethyl 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: 2-(2-bromophenyl)ethyl 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-(2-bromophenyl)ethyl ester IUPAC Name: 2-(2-bromophenyl)ethyl 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-(2-bromophenyl)ethyl ester Formula: C21H21BrClN3O2S MolecularWeight: 494.83234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCCC2=CC=CC=C2Br)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCCC2=CC=CC=C2Br)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H21BrClN3O2S/c22-17-5-2-1-4-15(17)8-13-28-21(27)26-10-3-9-25(11-12-26)20-24-18-7-6-16(23)14-19(18)29-20/h1-2,4-7,14H,3,8-13H2