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

Systemtic Name: 2-[azanyl(phenethyl)carbamoyl]-4-methyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pentanamide Openeye Name: 2-[amino(phenethyl)carbamoyl]-4-methyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)pentanamide CAS Name: 2-[[amino(phenethyl)amino]-oxomethyl]-4-methyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pentanamide IUPAC Name: 2-[amino(phenethyl)carbamoyl]-4-methyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pentanamide Traditional Name: 2-[amino(phenethyl)carbamoyl]-4-methyl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)valeramide Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NNC(=S)S1)C(=O)N(CCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC1=NNC(=S)S1)C(=O)N(CCC2=CC=CC=C2)N

InChI

InChI=1S/C17H23N5O2S2/c1-11(2)10-13(14(23)19-16-20-21-17(25)26-16)15(24)22(18)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,18H2,1-2H3,(H,21,25)(H,19,20,23)