2-[azanyl-(phenylmethyl)carbamoyl]-4-methyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pentanamide

Systemtic Name: 2-[azanyl-(phenylmethyl)carbamoyl]-4-methyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pentanamide Openeye Name: 2-[amino(benzyl)carbamoyl]-4-methyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)pentanamide CAS Name: 2-[[amino-(phenylmethyl)amino]-oxomethyl]-4-methyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pentanamide IUPAC Name: 2-[amino(benzyl)carbamoyl]-4-methyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pentanamide Traditional Name: 2-[amino(benzyl)carbamoyl]-4-methyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)valeramide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NNC(=S)S1)C(=O)N(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC1=NNC(=S)S1)C(=O)N(CC2=CC=CC=C2)N

InChI

InChI=1S/C16H21N5O2S2/c1-10(2)8-12(13(22)18-15-19-20-16(24)25-15)14(23)21(17)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,17H2,1-2H3,(H,20,24)(H,18,19,22)