1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C19H20N4O2S2/c1-3-13-8-6-7-12(2)17(13)21-18(26)23-22-16(24)11-27-19-20-14-9-4-5-10-15(14)25-19/h4-10H,3,11H2,1-2H3,(H,22,24)(H2,21,23,26)