1-butyl-5-oxidanylidene-N-[4-[[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-butyl-5-oxidanylidene-N-[4-[[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-butyl-5-oxo-N-[4-[[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-butyl-5-oxo-N-[4-[oxo-[[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-5-oxo-N-[4-[[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-N-[4-[[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]pyrrolidine-3-carboxamide Formula: C27H31N5O3S2 MolecularWeight: 537.69674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCCCC4=CC=CC=C4

Isomeric SMILES

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCCCC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3S2/c1-2-3-15-32-18-21(17-23(32)33)25(35)28-22-13-11-20(12-14-22)24(34)29-26-30-31-27(37-26)36-16-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-14,21H,2-3,7,10,15-18H2,1H3,(H,28,35)(H,29,30,34)