7-chloranyl-9-methoxy-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzoxepine-4-carboxamide

Systemtic Name: 7-chloranyl-9-methoxy-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzoxepine-4-carboxamide Openeye Name: 7-chloro-9-methoxy-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzoxepine-4-carboxamide CAS Name: 7-chloro-9-methoxy-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-1-benzoxepin-4-carboxamide IUPAC Name: 7-chloro-9-methoxy-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1-benzoxepine-4-carboxamide Traditional Name: 7-chloro-9-methoxy-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-1-benzoxepin-4-carboxamide Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

InChI

InChI=1S/C17H16ClN3O3S2/c1-3-6-25-17-21-20-16(26-17)19-15(22)10-4-5-24-14-11(7-10)8-12(18)9-13(14)23-2/h4-5,7-9H,3,6H2,1-2H3,(H,19,20,22)