N-[(1R)-2-oxidanylidene-2-[(phenylmethyl)amino]-1-pyridin-4-yl-ethyl]-N-prop-2-enyl-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(1R)-2-oxidanylidene-2-[(phenylmethyl)amino]-1-pyridin-4-yl-ethyl]-N-prop-2-enyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-allyl-N-[(1R)-2-(benzylamino)-2-oxo-1-(4-pyridyl)ethyl]thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-oxo-2-[(phenylmethyl)amino]-1-pyridin-4-ylethyl]-N-prop-2-enyl-4-thiadiazolecarboxamide IUPAC Name: N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-prop-2-enylthiadiazole-4-carboxamide Traditional Name: N-allyl-N-[(1R)-2-(benzylamino)-2-keto-1-(4-pyridyl)ethyl]thiadiazole-4-carboxamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(C1=CC=NC=C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CSN=N3

Isomeric SMILES

C=CCN([C@H](C1=CC=NC=C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CSN=N3

InChI

InChI=1S/C20H19N5O2S/c1-2-12-25(20(27)17-14-28-24-23-17)18(16-8-10-21-11-9-16)19(26)22-13-15-6-4-3-5-7-15/h2-11,14,18H,1,12-13H2,(H,22,26)/t18-/m1/s1