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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OCCCNC(=S)NC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OCCCNC(=S)NC2=CC=C(C=C2)C(C)(C)C

InChI

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