N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,4-dimethyl-pyrazole-3-carboxamide Formula: C18H22BrN5OS MolecularWeight: 436.36918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br)C

InChI

InChI=1S/C18H22BrN5OS/c1-12-11-23(4)21-16(12)17(25)24(9-5-8-22(2)3)18-20-14-7-6-13(19)10-15(14)26-18/h6-7,10-11H,5,8-9H2,1-4H3