1-[(2S)-2-methylheptyl]-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea Traditional Name: 1-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CCN1C2=CC=CC=C2OC1=O

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)CCN1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C19H28N4O3S/c1-3-4-5-8-14(2)13-20-18(27)22-21-17(24)11-12-23-15-9-6-7-10-16(15)26-19(23)25/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,21,24)(H2,20,22,27)/t14-/m0/s1