1-[6-[2,6-bis(chloranyl)phenyl]heptanoylamino]thiourea

Systemtic Name: 1-[6-[2,6-bis(chloranyl)phenyl]heptanoylamino]thiourea Openeye Name: [6-(2,6-dichlorophenyl)heptanoylamino]thiourea CAS Name: [[6-(2,6-dichlorophenyl)-1-oxoheptyl]amino]thiourea IUPAC Name: [6-(2,6-dichlorophenyl)heptanoylamino]thiourea Traditional Name: [6-(2,6-dichlorophenyl)heptanoylamino]thiourea Formula: C14H19Cl2N3OS MolecularWeight: 348.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)NNC(=S)N)C1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CC(CCCCC(=O)NNC(=S)N)C1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C14H19Cl2N3OS/c1-9(13-10(15)6-4-7-11(13)16)5-2-3-8-12(20)18-19-14(17)21/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,20)(H3,17,19,21)