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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]ethanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]acetamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]acetamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide Formula: C17H23N5O4S3 MolecularWeight: 457.59062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NN=C(S3)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NN=C(S3)N

InChI

InChI=1S/C17H23N5O4S3/c1-26-14-7-6-12(29(24,25)22-8-4-2-3-5-9-22)10-13(14)19-15(23)11-27-17-21-20-16(18)28-17/h6-7,10H,2-5,8-9,11H2,1H3,(H2,18,20)(H,19,23)