4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-propan-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-propan-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-isopropyl-1,4-diazepane-1-carboxamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-propan-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-propan-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-isopropyl-1,4-diazepane-1-carboxamide Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4OS/c1-11(2)18-15(22)20-6-3-7-21(9-8-20)16-19-13-5-4-12(17)10-14(13)23-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,22)