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

Systemtic Name: 1-[3-phenylpropanoyl(pyridin-2-ylmethyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[3-phenylpropanoyl(2-pyridylmethyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[(1-oxo-3-phenylpropyl)-(2-pyridinylmethyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-phenylpropanoyl(pyridin-2-ylmethyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[hydrocinnamoyl(2-pyridylmethyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=N2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=N2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C18H18N6O2S2/c25-15(10-9-13-6-2-1-3-7-13)24(12-14-8-4-5-11-19-14)23-16(26)20-17-21-22-18(27)28-17/h1-8,11H,9-10,12H2,(H,22,27)(H2,20,21,23,26)