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

Systemtic Name: 1-[(2R)-2-methylheptyl]-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea Openeye Name: 1-[(2R)-2-methylheptyl]-3-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]thiourea CAS Name: 1-[(2R)-2-methylheptyl]-3-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]thiourea IUPAC Name: 1-[(2R)-2-methylheptyl]-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea Traditional Name: 1-[(2R)-2-methylheptyl]-3-[[(E)-3-(2-thienyl)acryloyl]amino]thiourea Formula: C16H25N3OS2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C=CC1=CC=CS1

Isomeric SMILES

CCCCC[C@@H](C)CNC(=S)NNC(=O)/C=C/C1=CC=CS1

InChI

InChI=1S/C16H25N3OS2/c1-3-4-5-7-13(2)12-17-16(21)19-18-15(20)10-9-14-8-6-11-22-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,18,20)(H2,17,19,21)/b10-9+/t13-/m1/s1