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

Systemtic Name: 1-[1,3-benzodioxol-5-ylmethyl(3-phenylpropanoyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[1,3-benzodioxol-5-ylmethyl(3-phenylpropanoyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[1,3-benzodioxol-5-ylmethyl-(1-oxo-3-phenylpropyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[1,3-benzodioxol-5-ylmethyl(3-phenylpropanoyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[hydrocinnamoyl(piperonyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C20H19N5O4S2 MolecularWeight: 457.52596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(C(=O)CCC3=CC=CC=C3)NC(=O)NC4=NNC(=S)S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(C(=O)CCC3=CC=CC=C3)NC(=O)NC4=NNC(=S)S4

InChI

InChI=1S/C20H19N5O4S2/c26-17(9-7-13-4-2-1-3-5-13)25(24-18(27)21-19-22-23-20(30)31-19)11-14-6-8-15-16(10-14)29-12-28-15/h1-6,8,10H,7,9,11-12H2,(H,23,30)(H2,21,22,24,27)