N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-methyl-1-(piperonylcarbamoyl)propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

InChI=1S/C25H24N4O4S/c1-15(2)22(24(31)26-13-16-5-8-19-20(11-16)33-14-32-19)28-23(30)17-6-7-18-21(12-17)34-25(27-18)29-9-3-4-10-29/h3-12,15,22H,13-14H2,1-2H3,(H,26,31)(H,28,30)