1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea Formula: C19H27ClN4O3S MolecularWeight: 426.96068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

InChI

InChI=1S/C19H27ClN4O3S/c1-3-4-5-6-13(2)12-21-18(28)23-22-17(25)9-10-24-15-8-7-14(20)11-16(15)27-19(24)26/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,22,25)(H2,21,23,28)/t13-/m0/s1