1-(3-methylbutyl)-3-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(E)-1-oxo-3-(phenylthio)prop-2-enyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(E)-3-(phenylthio)acryloyl]amino]thiourea Formula: C15H21N3OS2 MolecularWeight: 323.47674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C15H21N3OS2/c1-12(2)8-10-16-15(20)18-17-14(19)9-11-21-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,17,19)(H2,16,18,20)/b11-9+