1-[2,5-bis(chloranyl)phenyl]-3-(butanoylamino)thiourea

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(butanoylamino)thiourea Openeye Name: 1-(butanoylamino)-3-(2,5-dichlorophenyl)thiourea CAS Name: 1-(2,5-dichlorophenyl)-3-(1-oxobutylamino)thiourea IUPAC Name: 1-(butanoylamino)-3-(2,5-dichlorophenyl)thiourea Traditional Name: 1-butyramido-3-(2,5-dichlorophenyl)thiourea Formula: C11H13Cl2N3OS MolecularWeight: 306.21142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CCCC(=O)NNC(=S)NC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C11H13Cl2N3OS/c1-2-3-10(17)15-16-11(18)14-9-6-7(12)4-5-8(9)13/h4-6H,2-3H2,1H3,(H,15,17)(H2,14,16,18)