N-[5-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C23H25N5O4S3 MolecularWeight: 531.6707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C23H25N5O4S3/c1-15-5-10-19(16(2)13-15)24-20(29)14-33-23-27-26-22(34-23)25-21(30)17-6-8-18(9-7-17)35(31,32)28-11-3-4-12-28/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,29)(H,25,26,30)