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

Systemtic Name: 3-methyl-N-[4-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S2/c1-14(2)12-19(27)22-17-10-8-15(9-11-17)18(26)13-28-21-25-24-20(29-21)23-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,22,27)(H,23,24)