N-[(3S,4S)-1,4-bis(phenylmethyl)piperidin-3-yl]-5-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[(3S,4S)-1,4-bis(phenylmethyl)piperidin-3-yl]-5-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine Openeye Name: N-[(3S,4S)-1,4-dibenzyl-3-piperidyl]-5-(6-isoquinolyl)-1,3,4-thiadiazol-2-amine CAS Name: N-[(3S,4S)-1,4-bis(phenylmethyl)-3-piperidinyl]-5-(6-isoquinolinyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(3S,4S)-1,4-dibenzylpiperidin-3-yl]-5-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine Traditional Name: [(3S,4S)-1,4-dibenzyl-3-piperidyl]-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]amine Formula: C30H29N5S MolecularWeight: 491.64976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CC2=CC=CC=C2)NC3=NN=C(S3)C4=CC5=C(C=C4)C=NC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(C[C@H]([C@H]1CC2=CC=CC=C2)NC3=NN=C(S3)C4=CC5=C(C=C4)C=NC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C30H29N5S/c1-3-7-22(8-4-1)17-25-14-16-35(20-23-9-5-2-6-10-23)21-28(25)32-30-34-33-29(36-30)26-11-12-27-19-31-15-13-24(27)18-26/h1-13,15,18-19,25,28H,14,16-17,20-21H2,(H,32,34)/t25-,28-/m1/s1