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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S3/c1-12(2)7-8-18-17(23)20-19-15(21)11-22-14-5-3-13(4-6-14)16-24-9-10-25-16/h3-6,12,16H,7-11H2,1-2H3,(H,19,21)(H2,18,20,23)