1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C18H26N4O2S2/c1-3-4-5-8-13(2)11-19-17(25)22-21-16(23)12-26-18-20-14-9-6-7-10-15(14)24-18/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,21,23)(H2,19,22,25)/t13-/m0/s1