N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; ethanedioic acid

Systemtic Name: N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; ethanedioic acid Openeye Name: N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]propanamide; oxalic acid CAS Name: N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]propanamide; oxalic acid IUPAC Name: N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid Traditional Name: N-(2-butoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazino)ethyl]propionamide; oxalic acid Formula: C33H44N4O10S MolecularWeight: 688.78826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(S1)C=C(C=C2)N(C(C)CN3CCN(CC3)CCC4=CC=CC=C4)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCOC1=NC2=C(S1)C=C(C=C2)N(C(C)CN3CCN(CC3)CCC4=CC=CC=C4)C(=O)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H40N4O2S.2C2H2O4/c1-4-6-20-35-29-30-26-13-12-25(21-27(26)36-29)33(28(34)5-2)23(3)22-32-18-16-31(17-19-32)15-14-24-10-8-7-9-11-24;2*3-1(4)2(5)6/h7-13,21,23H,4-6,14-20,22H2,1-3H3;2*(H,3,4)(H,5,6)