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

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-(4-butylphenyl)thiourea Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H22N4O2S2/c1-2-3-6-14-9-11-15(12-10-14)21-19(27)24-23-18(25)13-28-20-22-16-7-4-5-8-17(16)26-20/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,25)(H2,21,24,27)