N-[2,5-bis(chloranyl)phenyl]-2-[(4-butylphenyl)carbamothioylamino]ethanamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-2-[(4-butylphenyl)carbamothioylamino]ethanamide Openeye Name: 2-[(4-butylphenyl)carbamothioylamino]-N-(2,5-dichlorophenyl)acetamide CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-N-(2,5-dichlorophenyl)acetamide IUPAC Name: 2-[(4-butylphenyl)carbamothioylamino]-N-(2,5-dichlorophenyl)acetamide Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-N-(2,5-dichlorophenyl)acetamide Formula: C19H21Cl2N3OS MolecularWeight: 410.36054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(=O)NC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC(=O)NC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3OS/c1-2-3-4-13-5-8-15(9-6-13)23-19(26)22-12-18(25)24-17-11-14(20)7-10-16(17)21/h5-11H,2-4,12H2,1H3,(H,24,25)(H2,22,23,26)