5-(1,3-benzothiazol-2-ylmethylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 1-allyl-5-(1,3-benzothiazol-2-ylmethylamino)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 5-(1,3-benzothiazol-2-ylmethylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 5-(1,3-benzothiazol-2-ylmethylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 1-allyl-5-(1,3-benzothiazol-2-ylmethylamino)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NN(C2=C1CC(CC2)NCC3=NC4=CC=CC=C4S3)CC=C

Isomeric SMILES

CN(C)C(=O)C1=NN(C2=C1CC(CC2)NCC3=NC4=CC=CC=C4S3)CC=C

InChI

InChI=1S/C21H25N5OS/c1-4-11-26-17-10-9-14(12-15(17)20(24-26)21(27)25(2)3)22-13-19-23-16-7-5-6-8-18(16)28-19/h4-8,14,22H,1,9-13H2,2-3H3