2-(1,3-benzodioxol-5-ylcarbonylamino)-N-(4-bromanyl-2-methyl-phenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-N-(4-bromanyl-2-methyl-phenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-(4-bromo-2-methyl-phenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(piperonyloylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Formula: C23H20BrN3O4S MolecularWeight: 514.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20BrN3O4S/c1-12-9-14(24)6-7-16(12)25-22(29)15-3-2-4-19-20(15)26-23(32-19)27-21(28)13-5-8-17-18(10-13)31-11-30-17/h5-10,15H,2-4,11H2,1H3,(H,25,29)(H,26,27,28)