N-(2,4-dimethoxyphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N5O3S/c1-29-17-8-9-18(19(15-17)30-2)23-21(28)26-10-12-27(13-11-26)22-24-20(25-31-22)14-16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3,(H,23,28)