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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C16H21N5OS2 MolecularWeight: 363.50084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)N

InChI

InChI=1S/C16H21N5OS2/c17-15-19-20-16(24-15)23-11-14(22)18-12-5-7-13(8-6-12)21-9-3-1-2-4-10-21/h5-8H,1-4,9-11H2,(H2,17,19)(H,18,22)