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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=CC(=C2C3=NN=CS3)C(=O)N)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=C(C=CC(=C2C3=NN=CS3)C(=O)N)Br)CC4=CC=CC=C4

InChI

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