1-[4-phenylbutyl(3-phenylpropanoyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: 1-[4-phenylbutyl(3-phenylpropanoyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[4-phenylbutyl(3-phenylpropanoyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[(1-oxo-3-phenylpropyl)-(4-phenylbutyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[4-phenylbutyl(3-phenylpropanoyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[hydrocinnamoyl(4-phenylbutyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN(C(=O)CCC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCCCN(C(=O)CCC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C22H25N5O2S2/c28-19(15-14-18-11-5-2-6-12-18)27(16-8-7-13-17-9-3-1-4-10-17)26-20(29)23-21-24-25-22(30)31-21/h1-6,9-12H,7-8,13-16H2,(H,25,30)(H2,23,24,26,29)