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

Systemtic Name: 1-[3-phenylpropanoyl(pyridin-4-ylmethyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[3-phenylpropanoyl(4-pyridylmethyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[(1-oxo-3-phenylpropyl)-(pyridin-4-ylmethyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-phenylpropanoyl(pyridin-4-ylmethyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[hydrocinnamoyl(4-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=NC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=NC=C2)NC(=O)NC3=NNC(=S)S3

InChI

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