N-[3-[3-[(4-butylphenyl)carbamothioylamino]propoxy]phenyl]ethanamide

Systemtic Name: N-[3-[3-[(4-butylphenyl)carbamothioylamino]propoxy]phenyl]ethanamide Openeye Name: N-[3-[3-[(4-butylphenyl)carbamothioylamino]propoxy]phenyl]acetamide CAS Name: N-[3-[3-[[(4-butylanilino)-sulfanylidenemethyl]amino]propoxy]phenyl]acetamide IUPAC Name: N-[3-[3-[(4-butylphenyl)carbamothioylamino]propoxy]phenyl]acetamide Traditional Name: N-[3-[3-[(4-butylphenyl)thiocarbamoylamino]propoxy]phenyl]acetamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCCOC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCCOC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C22H29N3O2S/c1-3-4-7-18-10-12-19(13-11-18)25-22(28)23-14-6-15-27-21-9-5-8-20(16-21)24-17(2)26/h5,8-13,16H,3-4,6-7,14-15H2,1-2H3,(H,24,26)(H2,23,25,28)