2-(4-ethoxy-3-methoxy-phenyl)-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-4-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]thiazole CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-4-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]thiazole IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(4-ethoxy-3-methoxy-phenyl)-4-[[4-(2-thienylsulfonyl)piperazino]methyl]thiazole Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C21H25N3O4S3/c1-3-28-18-7-6-16(13-19(18)27-2)21-22-17(15-30-21)14-23-8-10-24(11-9-23)31(25,26)20-5-4-12-29-20/h4-7,12-13,15H,3,8-11,14H2,1-2H3