4-bromanyl-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H24BrN5OS MolecularWeight: 438.38506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)NCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H24BrN5OS/c19-14-9-7-13(8-10-14)16(25)22-18-24-23-17(26-18)21-12-4-11-20-15-5-2-1-3-6-15/h7-10,15,20H,1-6,11-12H2,(H,21,23)(H,22,24,25)