5-[3-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[3-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[3-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[3-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[3-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[3-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=NN=C(S3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=NN=C(S3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3S/c28-18(23-17-10-4-3-5-11-17)19-24-25-20(31-19)22(30)27-14-8-9-16(15-27)21(29)26-12-6-1-2-7-13-26/h3-5,10-11,16H,1-2,6-9,12-15H2,(H,23,28)