2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanamide

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]acetamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]acetamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide Formula: C17H23N5O3S3 MolecularWeight: 441.59122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H23N5O3S3/c1-12-6-7-13(19-15(23)11-26-17-21-20-16(18)27-17)10-14(12)28(24,25)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9,11H2,1H3,(H2,18,20)(H,19,23)