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

Systemtic Name: 1-(3-methylbutyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(E)-3-(2-thienyl)acryloyl]amino]thiourea Formula: C13H19N3OS2 MolecularWeight: 297.43946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C=CC1=CC=CS1

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)/C=C/C1=CC=CS1

InChI

InChI=1S/C13H19N3OS2/c1-10(2)7-8-14-13(18)16-15-12(17)6-5-11-4-3-9-19-11/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H2,14,16,18)/b6-5+