1-phenyl-3-[2-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-phenyl-3-[2-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]thiourea Openeye Name: 1-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[1-oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-3-phenyl-thiourea Formula: C18H17N5OS4 MolecularWeight: 447.62048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5OS4/c24-15(20-21-16(25)19-14-9-5-2-6-10-14)12-27-18-23-22-17(28-18)26-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,24)(H2,19,21,25)