1-(3-methylbutyl)-3-(2-phenylsulfanylethanoylamino)thiourea

Systemtic Name: 1-(3-methylbutyl)-3-(2-phenylsulfanylethanoylamino)thiourea Openeye Name: 1-isopentyl-3-[(2-phenylsulfanylacetyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[1-oxo-2-(phenylthio)ethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(2-phenylsulfanylacetyl)amino]thiourea Traditional Name: 1-isoamyl-3-[[2-(phenylthio)acetyl]amino]thiourea Formula: C14H21N3OS2 MolecularWeight: 311.46604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H21N3OS2/c1-11(2)8-9-15-14(19)17-16-13(18)10-20-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)(H2,15,17,19)