N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S2/c27-18(23-16-8-10-17(11-9-16)26-12-4-7-19(26)28)14-29-21-25-24-20(30-21)22-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H,23,27)