1-[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]thiourea Formula: C17H25N3O2S3 MolecularWeight: 399.5943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)COC1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)COC1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H25N3O2S3/c1-2-3-4-9-18-17(23)20-19-15(21)12-22-14-7-5-13(6-8-14)16-24-10-11-25-16/h5-8,16H,2-4,9-12H2,1H3,(H,19,21)(H2,18,20,23)