1-[3-(4-tert-butylphenyl)propanoyl-methyl-amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: 1-[3-(4-tert-butylphenyl)propanoyl-methyl-amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[3-(4-tert-butylphenyl)propanoyl-methyl-amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[[3-(4-tert-butylphenyl)-1-oxopropyl]-methylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-(4-tert-butylphenyl)propanoyl-methylamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[3-(4-tert-butylphenyl)propanoyl-methyl-amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N(C)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N(C)NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C17H23N5O2S2/c1-17(2,3)12-8-5-11(6-9-12)7-10-13(23)22(4)21-14(24)18-15-19-20-16(25)26-15/h5-6,8-9H,7,10H2,1-4H3,(H,20,25)(H2,18,19,21,24)