N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C18H22N4O3S3 MolecularWeight: 438.58728

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H22N4O3S3/c1-2-13-26-18-21-20-17(27-18)19-16(23)10-7-14-5-8-15(9-6-14)28(24,25)22-11-3-4-12-22/h2,5-6,8-9H,1,3-4,7,10-13H2,(H,19,20,23)