N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H24N4O3S3 MolecularWeight: 488.64596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCCCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S3/c27-20(18-11-6-12-19(16-18)32(28,29)26-13-4-5-14-26)23-21-24-25-22(31-21)30-15-7-10-17-8-2-1-3-9-17/h1-3,6,8-9,11-12,16H,4-5,7,10,13-15H2,(H,23,24,27)