N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-pyrrolidin-1-ylsulfonyl-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-pyrrolidinosulfonyl-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H22N4O3S3 MolecularWeight: 426.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O3S3/c1-3-12(2)25-17-20-19-16(26-17)18-15(22)13-7-6-8-14(11-13)27(23,24)21-9-4-5-10-21/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19,22)