4-bromanyl-N-[5-[[1-(phenylmethyl)piperidin-4-yl]amino]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[5-[[1-(phenylmethyl)piperidin-4-yl]amino]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[(1-benzyl-4-piperidyl)amino]-1,3,4-thiadiazol-2-yl]-4-bromo-benzamide CAS Name: 4-bromo-N-[5-[[1-(phenylmethyl)-4-piperidinyl]amino]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[(1-benzylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-4-bromobenzamide Traditional Name: N-[5-[(1-benzyl-4-piperidyl)amino]-1,3,4-thiadiazol-2-yl]-4-bromo-benzamide Formula: C21H22BrN5OS MolecularWeight: 472.40128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C21H22BrN5OS/c22-17-8-6-16(7-9-17)19(28)24-21-26-25-20(29-21)23-18-10-12-27(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,23,25)(H,24,26,28)