N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4)OC

InChI

InChI=1S/C22H27N5O3S/c1-3-30-18-9-8-16(13-19(18)29-2)14-23-20(28)17-7-6-12-27(15-17)22-25-24-21(31-22)26-10-4-5-11-26/h4-5,8-11,13,17H,3,6-7,12,14-15H2,1-2H3,(H,23,28)