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

Systemtic Name: N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H23N5O4S3 MolecularWeight: 517.64412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S3/c1-15-5-4-6-17(13-15)23-19(28)14-32-22-26-25-21(33-22)24-20(29)16-7-9-18(10-8-16)34(30,31)27-11-2-3-12-27/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,28)(H,24,25,29)