3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C19H26N4O3S3 MolecularWeight: 454.62974

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O3S3/c1-2-27-19-22-21-18(28-19)20-17(24)12-9-15-7-10-16(11-8-15)29(25,26)23-13-5-3-4-6-14-23/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,20,21,24)