1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(2,6-dimethylphenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-(2,6-dimethylphenyl)thiourea Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H18N4O2S2/c1-11-6-5-7-12(2)16(11)20-17(25)22-21-15(23)10-26-18-19-13-8-3-4-9-14(13)24-18/h3-9H,10H2,1-2H3,(H,21,23)(H2,20,22,25)