[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C25H31N3O4S/c1-5-30-19-15-18(16-20(31-6-2)23(19)32-7-3)24(29)27-11-13-28(14-12-27)25-26-22-17(4)9-8-10-21(22)33-25/h8-10,15-16H,5-7,11-14H2,1-4H3