1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-p-cumenyl-thiourea Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H20N4O2S2/c1-12(2)13-7-9-14(10-8-13)20-18(26)23-22-17(24)11-27-19-21-15-5-3-4-6-16(15)25-19/h3-10,12H,11H2,1-2H3,(H,22,24)(H2,20,23,26)