N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS2/c1-15-13-17(26-11-5-6-12-26)9-10-18(15)23-19(27)14-28-21-25-24-20(29-21)22-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)(H,23,27)