N-[4-(2,5-diethoxypiperazin-1-yl)phenyl]-2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

Systemtic Name: N-[4-(2,5-diethoxypiperazin-1-yl)phenyl]-2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Openeye Name: N-[4-(2,5-diethoxypiperazin-1-yl)phenyl]-2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide CAS Name: N-[4-(2,5-diethoxy-1-piperazinyl)phenyl]-2-[(3,3-dimethyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide IUPAC Name: N-[4-(2,5-diethoxypiperazin-1-yl)phenyl]-2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Traditional Name: N-[4-(2,5-diethoxypiperazino)phenyl]-2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Formula: C28H41N5O4S MolecularWeight: 543.72124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CNC(CN1C2=CC=C(C=C2)NC(=O)C3CCCC4=C3N=C(S4)NC(=O)CC(C)(C)C)OCC

Isomeric SMILES

CCOC1CNC(CN1C2=CC=C(C=C2)NC(=O)C3CCCC4=C3N=C(S4)NC(=O)CC(C)(C)C)OCC

InChI

InChI=1S/C28H41N5O4S/c1-6-36-23-17-33(24(16-29-23)37-7-2)19-13-11-18(12-14-19)30-26(35)20-9-8-10-21-25(20)32-27(38-21)31-22(34)15-28(3,4)5/h11-14,20,23-24,29H,6-10,15-17H2,1-5H3,(H,30,35)(H,31,32,34)