N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(phenylmethyl)carbamoylamino]butanamide

Systemtic Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(phenylmethyl)carbamoylamino]butanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-butanamide CAS Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]butanamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide Traditional Name: 2-(benzylcarbamoylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-butyramide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)OC)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)OC)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3S/c1-14(2)18(24-21(29)23-13-15-7-5-4-6-8-15)19(28)25-22-27-26-20(31-22)16-9-11-17(30-3)12-10-16/h4-12,14,18H,13H2,1-3H3,(H2,23,24,29)(H,25,27,28)