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

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

Isomeric SMILES

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

InChI

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