1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-[(2R)-2-methylheptyl]thiourea

Systemtic Name: 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-[(2R)-2-methylheptyl]thiourea Openeye Name: 1-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-3-[(2R)-2-methylheptyl]thiourea CAS Name: 1-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-3-[(2R)-2-methylheptyl]thiourea IUPAC Name: 1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-[(2R)-2-methylheptyl]thiourea Traditional Name: 1-[[(E)-3-(2-furyl)acryloyl]amino]-3-[(2R)-2-methylheptyl]thiourea Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C=CC1=CC=CO1

Isomeric SMILES

CCCCC[C@@H](C)CNC(=S)NNC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C16H25N3O2S/c1-3-4-5-7-13(2)12-17-16(22)19-18-15(20)10-9-14-8-6-11-21-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,18,20)(H2,17,19,22)/b10-9+/t13-/m1/s1